5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid

C27H32O3 — CID 76771717

IUPAC5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
SMILESCC1(C)CCC(C)(C)c2cc(COc3ccc4c(c3)C3(CC4)CC3C(=O)O)ccc21
InChIInChI=1S/C27H32O3/c1-25(2)11-12-26(3,4)22-13-17(5-8-20(22)25)16-30-19-7-6-18-9-10-27(21(18)14-19)15-23(27)24(28)29/h5-8,13-14,23H,9-12,15-16H2,1-4H3,(H,28,29)
InChIKeyZHMLCAOHPLBOIT-UHFFFAOYSA-N
MW404.55 g/mol
LogP5.90
Rot. Bonds4

About 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid

5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid (PubChem CID 76771717) has the molecular formula C27H32O3 and a molecular weight of 404.55 g/mol. Its IUPAC name is 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid.

Molecular Properties

Compound Name5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
PubChem CID76771717
Molecular FormulaC27H32O3
Molecular Weight404.55 g/mol
Exact Mass404.24
IUPAC Name5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
SMILESCC1(C)CCC(C)(C)c2cc(COc3ccc4c(c3)C3(CC4)CC3C(=O)O)ccc21
InChIInChI=1S/C27H32O3/c1-25(2)11-12-26(3,4)22-13-17(5-8-20(22)25)16-30-19-7-6-18-9-10-27(21(18)14-19)15-23(27)24(28)29/h5-8,13-14,23H,9-12,15-16H2,1-4H3,(H,28,29)
InChIKeyZHMLCAOHPLBOIT-UHFFFAOYSA-N
XLogP5.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.55
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid with MolForge

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Related Compounds

3'-methyl-6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
CID 90963447
5-[[4-(2-fluoro-5-methoxyphenyl)-3-(1-methoxycyclopentyl)phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
CID 75112790
(1'S,3R)-5-[[3-(2,2-dimethylcyclopentyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
CID 45377308
(1'R,4R)-6-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-propoxyphenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
CID 58379994
(1'R,3R)-5-[[3-butoxy-4-(3-methylphenyl)phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
CID 58380144
(1'R,3R)-5-[[4-(5-fluoro-2-methyl-4-pyridinyl)-3-[1-(methoxymethyl)cyclopentyl]phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
CID 58380136
(1'R,3R)-5-[[3-(2,2-dimethylpropyl)-4-(2-fluoro-5-methoxycyclohexa-1,5-dien-1-yl)phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
CID 143977494
(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
CID 58379968
6-[[4-bromo-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
CID 160744521
(1'R,3R)-6-(2-phenylethoxy)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
CID 58380060
1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene
CID 91488860
(1'R,3R)-5-[[4-(5-fluoro-2-methyl-4-pyridinyl)-3-(2-methylbut-3-en-2-yl)phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
CID 58380370

Frequently Asked Questions

What is the IUPAC name of 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid?
The IUPAC name of 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid (CID 76771717) is 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid.
What is the SMILES notation for 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid?
The canonical SMILES for 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid is CC1(C)CCC(C)(C)c2cc(COc3ccc4c(c3)C3(CC4)CC3C(=O)O)ccc21.
What is the InChIKey of 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid?
The InChIKey is ZHMLCAOHPLBOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O3/c1-25(2)11-12-26(3,4)22-13-17(5-8-20(22)25)16-30-19-7-6-18-9-10-27(21(18)14-19)15-23(27)24(28)29/h5-8,13-14,23H,9-12,15-16H2,1-4H3,(H,28,29).
What are the key properties of 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid?
5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid has a molecular weight of 404.55 g/mol, XLogP of 5.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid is sourced from PubChem (CID 76771717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).