(1'S,4S)-6-[[4-bromo-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-bromo-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-bromo-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-bromo-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid

C236H272Br4F4O36 — CID 158603150

IUPAC(1'S,4S)-6-[[4-bromo-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-bromo-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-bromo-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-bromo-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
SMILESCO[C@@H](c1cc(COc2ccc3c(c2)[C@@]2(CCC3)C[C@@H]2C(=O)O)ccc1Br)C(C)(C)C.CO[C@@H](c1cc(COc2ccc3c(c2)[C@]2(CCC3)C[C@H]2C(=O)O)ccc1Br)C(C)(C)C.CO[C@H](c1cc(COc2ccc3c(c2)[C@@]2(CCC3)C[C@@H]2C(=O)O)ccc1Br)C(C)(C)C.CO[C@H](c1cc(COc2ccc3c(c2)[C@]2(CCC3)C[C@H]2C(=O)O)ccc1Br)C(C)(C)C.COc1cccc(-c2ccc(COc3ccc4c(c3)[C@@]3(CCC4)C[C@@H]3C(=O)O)cc2[C@@H](OC)C(C)(C)C)c1F.COc1cccc(-c2ccc(COc3ccc4c(c3)[C@@]3(CCC4)C[C@@H]3C(=O)O)cc2[C@H](OC)C(C)(C)C)c1F.COc1cccc(-c2ccc(COc3ccc4c(c3)[C@]3(CCC4)C[C@H]3C(=O)O)cc2[C@@H](OC)C(C)(C)C)c1F.COc1cccc(-c2ccc(COc3ccc4c(c3)[C@]3(CCC4)C[C@H]3C(=O)O)cc2[C@H](OC)C(C)(C)C)c1F
InChIInChI=1S/4C33H37FO5.4C26H31BrO4/c4*1-32(2,3)30(38-5)25-16-20(11-14-23(25)24-9-6-10-28(37-4)29(24)34)19-39-22-13-12-21-8-7-15-33(26(21)17-22)18-27(33)31(35)36;4*1-25(2,3)23(30-4)19-12-16(7-10-22(19)27)15-31-18-9-8-17-6-5-11-26(20(17)13-18)14-21(26)24(28)29/h4*6,9-14,16-17,27,30H,7-8,15,18-19H2,1-5H3,(H,35,36);4*7-10,12-13,21,23H,5-6,11,14-15H2,1-4H3,(H,28,29)/t2*27-,30+,33-;2*27-,30-,33-;2*21-,23+,26-;2*21-,23-,26-/m10101010/s1
InChIKeyHVWROWSEOGUCFL-FBSKTGRDSA-N
MW4080.34 g/mol
LogP55.73
Rot. Bonds56

About (1'S,4S)-6-[[4-bromo-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-bromo-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-bromo-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-bromo-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid

(1'S,4S)-6-[[4-bromo-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-bromo-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-bromo-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-bromo-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid (PubChem CID 158603150) has the molecular formula C236H272Br4F4O36 and a molecular weight of 4080.34 g/mol. Its IUPAC name is (1'S,4S)-6-[[4-bromo-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-bromo-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-bromo-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-bromo-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid.

Molecular Properties

Compound Name(1'S,4S)-6-[[4-bromo-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-bromo-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-bromo-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-bromo-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
PubChem CID158603150
Molecular FormulaC236H272Br4F4O36
Molecular Weight4080.34 g/mol
Exact Mass4073.61
IUPAC Name(1'S,4S)-6-[[4-bromo-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-bromo-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-bromo-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-bromo-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
SMILESCO[C@@H](c1cc(COc2ccc3c(c2)[C@@]2(CCC3)C[C@@H]2C(=O)O)ccc1Br)C(C)(C)C.CO[C@@H](c1cc(COc2ccc3c(c2)[C@]2(CCC3)C[C@H]2C(=O)O)ccc1Br)C(C)(C)C.CO[C@H](c1cc(COc2ccc3c(c2)[C@@]2(CCC3)C[C@@H]2C(=O)O)ccc1Br)C(C)(C)C.CO[C@H](c1cc(COc2ccc3c(c2)[C@]2(CCC3)C[C@H]2C(=O)O)ccc1Br)C(C)(C)C.COc1cccc(-c2ccc(COc3ccc4c(c3)[C@@]3(CCC4)C[C@@H]3C(=O)O)cc2[C@@H](OC)C(C)(C)C)c1F.COc1cccc(-c2ccc(COc3ccc4c(c3)[C@@]3(CCC4)C[C@@H]3C(=O)O)cc2[C@H](OC)C(C)(C)C)c1F.COc1cccc(-c2ccc(COc3ccc4c(c3)[C@]3(CCC4)C[C@H]3C(=O)O)cc2[C@@H](OC)C(C)(C)C)c1F.COc1cccc(-c2ccc(COc3ccc4c(c3)[C@]3(CCC4)C[C@H]3C(=O)O)cc2[C@H](OC)C(C)(C)C)c1F
InChIInChI=1S/4C33H37FO5.4C26H31BrO4/c4*1-32(2,3)30(38-5)25-16-20(11-14-23(25)24-9-6-10-28(37-4)29(24)34)19-39-22-13-12-21-8-7-15-33(26(21)17-22)18-27(33)31(35)36;4*1-25(2,3)23(30-4)19-12-16(7-10-22(19)27)15-31-18-9-8-17-6-5-11-26(20(17)13-18)14-21(26)24(28)29/h4*6,9-14,16-17,27,30H,7-8,15,18-19H2,1-5H3,(H,35,36);4*7-10,12-13,21,23H,5-6,11,14-15H2,1-4H3,(H,28,29)/t2*27-,30+,33-;2*27-,30-,33-;2*21-,23+,26-;2*21-,23-,26-/m10101010/s1
InChIKeyHVWROWSEOGUCFL-FBSKTGRDSA-N
XLogP55.73
TPSA483.00 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds56
Heavy Atoms280
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004080.34
LogP ≤ 555.73
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Analyze (1'S,4S)-6-[[4-bromo-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-bromo-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-bromo-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-bromo-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1'S,4S)-6-[[4-bromo-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-bromo-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-bromo-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-bromo-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid?
The IUPAC name of (1'S,4S)-6-[[4-bromo-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-bromo-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-bromo-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-bromo-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid (CID 158603150) is (1'S,4S)-6-[[4-bromo-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-bromo-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-bromo-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-bromo-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid.
What is the SMILES notation for (1'S,4S)-6-[[4-bromo-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-bromo-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-bromo-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-bromo-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid?
The canonical SMILES for (1'S,4S)-6-[[4-bromo-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-bromo-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-bromo-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-bromo-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid is CO[C@@H](c1cc(COc2ccc3c(c2)[C@@]2(CCC3)C[C@@H]2C(=O)O)ccc1Br)C(C)(C)C.CO[C@@H](c1cc(COc2ccc3c(c2)[C@]2(CCC3)C[C@H]2C(=O)O)ccc1Br)C(C)(C)C.CO[C@H](c1cc(COc2ccc3c(c2)[C@@]2(CCC3)C[C@@H]2C(=O)O)ccc1Br)C(C)(C)C.CO[C@H](c1cc(COc2ccc3c(c2)[C@]2(CCC3)C[C@H]2C(=O)O)ccc1Br)C(C)(C)C.COc1cccc(-c2ccc(COc3ccc4c(c3)[C@@]3(CCC4)C[C@@H]3C(=O)O)cc2[C@@H](OC)C(C)(C)C)c1F.COc1cccc(-c2ccc(COc3ccc4c(c3)[C@@]3(CCC4)C[C@@H]3C(=O)O)cc2[C@H](OC)C(C)(C)C)c1F.COc1cccc(-c2ccc(COc3ccc4c(c3)[C@]3(CCC4)C[C@H]3C(=O)O)cc2[C@@H](OC)C(C)(C)C)c1F.COc1cccc(-c2ccc(COc3ccc4c(c3)[C@]3(CCC4)C[C@H]3C(=O)O)cc2[C@H](OC)C(C)(C)C)c1F.
What is the InChIKey of (1'S,4S)-6-[[4-bromo-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-bromo-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-bromo-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-bromo-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid?
The InChIKey is HVWROWSEOGUCFL-FBSKTGRDSA-N. The full InChI is InChI=1S/4C33H37FO5.4C26H31BrO4/c4*1-32(2,3)30(38-5)25-16-20(11-14-23(25)24-9-6-10-28(37-4)29(24)34)19-39-22-13-12-21-8-7-15-33(26(21)17-22)18-27(33)31(35)36;4*1-25(2,3)23(30-4)19-12-16(7-10-22(19)27)15-31-18-9-8-17-6-5-11-26(20(17)13-18)14-21(26)24(28)29/h4*6,9-14,16-17,27,30H,7-8,15,18-19H2,1-5H3,(H,35,36);4*7-10,12-13,21,23H,5-6,11,14-15H2,1-4H3,(H,28,29)/t2*27-,30+,33-;2*27-,30-,33-;2*21-,23+,26-;2*21-,23-,26-/m10101010/s1.
What are the key properties of (1'S,4S)-6-[[4-bromo-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-bromo-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-bromo-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-bromo-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid?
(1'S,4S)-6-[[4-bromo-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-bromo-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-bromo-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-bromo-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid has a molecular weight of 4080.34 g/mol, XLogP of 55.73, 56 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,4S)-6-[[4-bromo-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-bromo-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-bromo-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-bromo-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'S,4S)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;(1'R,4R)-6-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid is sourced from PubChem (CID 158603150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).