(3S)-5-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-2-hydroxy-5,6-dimethylphenyl]-7-methyl-2,3-dihydro-1H-inden-4-ol

C30H26F2O2 — CID 134510357

IUPAC(3S)-5-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-2-hydroxy-5,6-dimethylphenyl]-7-methyl-2,3-dihydro-1H-inden-4-ol
SMILESCc1cc(-c2ccc(F)cc2)c(O)c([C@@H]2CCc3c(C)cc(-c4ccc(F)cc4)c(O)c32)c1C
InChIInChI=1S/C30H26F2O2/c1-16-14-25(19-4-8-21(31)9-5-19)29(33)27(18(16)3)24-13-12-23-17(2)15-26(30(34)28(23)24)20-6-10-22(32)11-7-20/h4-11,14-15,24,33-34H,12-13H2,1-3H3/t24-/m0/s1
InChIKeyYHXSBGUITANUSU-DEOSSOPVSA-N
MW456.53 g/mol
LogP7.71
Rot. Bonds3

About (3S)-5-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-2-hydroxy-5,6-dimethylphenyl]-7-methyl-2,3-dihydro-1H-inden-4-ol

(3S)-5-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-2-hydroxy-5,6-dimethylphenyl]-7-methyl-2,3-dihydro-1H-inden-4-ol (PubChem CID 134510357) has the molecular formula C30H26F2O2 and a molecular weight of 456.53 g/mol. Its IUPAC name is (3S)-5-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-2-hydroxy-5,6-dimethylphenyl]-7-methyl-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name(3S)-5-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-2-hydroxy-5,6-dimethylphenyl]-7-methyl-2,3-dihydro-1H-inden-4-ol
PubChem CID134510357
Molecular FormulaC30H26F2O2
Molecular Weight456.53 g/mol
Exact Mass456.19
IUPAC Name(3S)-5-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-2-hydroxy-5,6-dimethylphenyl]-7-methyl-2,3-dihydro-1H-inden-4-ol
SMILESCc1cc(-c2ccc(F)cc2)c(O)c([C@@H]2CCc3c(C)cc(-c4ccc(F)cc4)c(O)c32)c1C
InChIInChI=1S/C30H26F2O2/c1-16-14-25(19-4-8-21(31)9-5-19)29(33)27(18(16)3)24-13-12-23-17(2)15-26(30(34)28(23)24)20-6-10-22(32)11-7-20/h4-11,14-15,24,33-34H,12-13H2,1-3H3/t24-/m0/s1
InChIKeyYHXSBGUITANUSU-DEOSSOPVSA-N
XLogP7.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.53
LogP ≤ 57.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S)-5-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-2-hydroxy-5,6-dimethylphenyl]-7-methyl-2,3-dihydro-1H-inden-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-5,6-dihydroxy-7-methyl-2,3-dihydro-1H-indene-4-carbaldehyde
CID 139404366
3-amino-5,7-dimethyl-2,3-dihydro-1H-inden-4-ol;hydrochloride
CID 12857263
1-bromo-5-fluoro-7,8-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 130892688
1,3-bis(4-fluorophenyl)-2-methylbenzene
CID 58586629
3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 122383670
(2S)-2-(3,4-dihydroxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-chromene-5,7-diol
CID 102055999
5-fluoro-4-[4-(4-fluorophenyl)-3-methylphenyl]cyclohexa-1,3-dien-1-ol
CID 90062373
(1S)-4-(3-chloro-5-fluorophenoxy)-7-methyl-2,3-dihydro-1H-inden-1-ol
CID 126738390
5,6-bis(4-fluorophenyl)-3-methyl-1H-pyridin-2-one
CID 118316459
4-methyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol
CID 102084046
3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-oxa-1-azaspiro[4.5]decan-4-ol
CID 134550485
4-bromo-1-(4-fluorophenyl)-2-methylbenzene
CID 67156128

Frequently Asked Questions

What is the IUPAC name of (3S)-5-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-2-hydroxy-5,6-dimethylphenyl]-7-methyl-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of (3S)-5-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-2-hydroxy-5,6-dimethylphenyl]-7-methyl-2,3-dihydro-1H-inden-4-ol (CID 134510357) is (3S)-5-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-2-hydroxy-5,6-dimethylphenyl]-7-methyl-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for (3S)-5-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-2-hydroxy-5,6-dimethylphenyl]-7-methyl-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for (3S)-5-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-2-hydroxy-5,6-dimethylphenyl]-7-methyl-2,3-dihydro-1H-inden-4-ol is Cc1cc(-c2ccc(F)cc2)c(O)c([C@@H]2CCc3c(C)cc(-c4ccc(F)cc4)c(O)c32)c1C.
What is the InChIKey of (3S)-5-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-2-hydroxy-5,6-dimethylphenyl]-7-methyl-2,3-dihydro-1H-inden-4-ol?
The InChIKey is YHXSBGUITANUSU-DEOSSOPVSA-N. The full InChI is InChI=1S/C30H26F2O2/c1-16-14-25(19-4-8-21(31)9-5-19)29(33)27(18(16)3)24-13-12-23-17(2)15-26(30(34)28(23)24)20-6-10-22(32)11-7-20/h4-11,14-15,24,33-34H,12-13H2,1-3H3/t24-/m0/s1.
What are the key properties of (3S)-5-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-2-hydroxy-5,6-dimethylphenyl]-7-methyl-2,3-dihydro-1H-inden-4-ol?
(3S)-5-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-2-hydroxy-5,6-dimethylphenyl]-7-methyl-2,3-dihydro-1H-inden-4-ol has a molecular weight of 456.53 g/mol, XLogP of 7.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-2-hydroxy-5,6-dimethylphenyl]-7-methyl-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 134510357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).