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

C28H34O3 — CID 90963447

IUPAC3'-methyl-6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
SMILESCC1C(C(=O)O)C12CCc1cc(OCc3ccc4c(c3)C(C)(C)CCC4(C)C)ccc12
InChIInChI=1S/C28H34O3/c1-17-24(25(29)30)28(17)11-10-19-15-20(7-9-21(19)28)31-16-18-6-8-22-23(14-18)27(4,5)13-12-26(22,2)3/h6-9,14-15,17,24H,10-13,16H2,1-5H3,(H,29,30)
InChIKeyKCIPQJHRJOXFRF-UHFFFAOYSA-N
MW418.58 g/mol
LogP6.15
Rot. Bonds4

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

3'-methyl-6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid (PubChem CID 90963447) has the molecular formula C28H34O3 and a molecular weight of 418.58 g/mol. Its IUPAC name is 3'-methyl-6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid.

Molecular Properties

Compound Name3'-methyl-6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
PubChem CID90963447
Molecular FormulaC28H34O3
Molecular Weight418.58 g/mol
Exact Mass418.25
IUPAC Name3'-methyl-6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
SMILESCC1C(C(=O)O)C12CCc1cc(OCc3ccc4c(c3)C(C)(C)CCC4(C)C)ccc12
InChIInChI=1S/C28H34O3/c1-17-24(25(29)30)28(17)11-10-19-15-20(7-9-21(19)28)31-16-18-6-8-22-23(14-18)27(4,5)13-12-26(22,2)3/h6-9,14-15,17,24H,10-13,16H2,1-5H3,(H,29,30)
InChIKeyKCIPQJHRJOXFRF-UHFFFAOYSA-N
XLogP6.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.58
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3'-methyl-6-[(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

5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
CID 76771717
2-[3-methyl-2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]phenyl]oxiran-2-yl]acetic acid
CID 141372793
1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene
CID 91488860
(1'R,3S,3'R)-5-[[3-[(1S)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methylphenyl)phenyl]methoxy]-3'-methylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
CID 58380225
2'-methyl-6-phenylmethoxyspiro[1,2-dihydroindene-3,1'-cyclopropane]
CID 134164541
(1'R,3'S,4R)-6-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-3'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
CID 143977426
6-[(4-chlorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 141000856
[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxymethyl]phenyl]methanamine
CID 14850581
(1'S,3R,3'R)-5-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methylphenyl)phenyl]methoxy]-3'-methylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid;ethyl (1'S,3S,3'S)-5-hydroxy-3'-methylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate
CID 123702885
(3S)-6-methyl-3-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]phenyl]hept-5-enoic acid
CID 59218468
1,1,4,4-tetramethyl-6-[(2-phenylphenoxy)methyl]-2,3-dihydronaphthalene
CID 23193647
(1'R,3'S,4R)-6-[[3-[(1S)-1-methoxy-2,2-dimethylpropyl]-4-(1,3-thiazol-5-yl)phenyl]methoxy]-3'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
CID 143977198

Frequently Asked Questions

What is the IUPAC name of 3'-methyl-6-[(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 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) is 3'-methyl-6-[(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 3'-methyl-6-[(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 3'-methyl-6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid is CC1C(C(=O)O)C12CCc1cc(OCc3ccc4c(c3)C(C)(C)CCC4(C)C)ccc12.
What is the InChIKey of 3'-methyl-6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid?
The InChIKey is KCIPQJHRJOXFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34O3/c1-17-24(25(29)30)28(17)11-10-19-15-20(7-9-21(19)28)31-16-18-6-8-22-23(14-18)27(4,5)13-12-26(22,2)3/h6-9,14-15,17,24H,10-13,16H2,1-5H3,(H,29,30).
What are the key properties of 3'-methyl-6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid?
3'-methyl-6-[(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 418.58 g/mol, XLogP of 6.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-methyl-6-[(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 90963447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).