3-[3-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]phenyl]prop-2-enoic acid

C32H34O3 — CID 68654469

IUPAC3-[3-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]phenyl]prop-2-enoic acid
SMILESCC1(C)CC(=C(c2ccc(O)cc2)c2ccc(-c3cccc(C=CC(=O)O)c3)cc2)CC(C)(C)C1
InChIInChI=1S/C32H34O3/c1-31(2)19-27(20-32(3,4)21-31)30(25-13-15-28(33)16-14-25)24-11-9-23(10-12-24)26-7-5-6-22(18-26)8-17-29(34)35/h5-18,33H,19-21H2,1-4H3,(H,34,35)
InChIKeyNDEYJKKJWBKIIR-UHFFFAOYSA-N
MW466.62 g/mol
LogP8.20
Rot. Bonds5

About 3-[3-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]phenyl]prop-2-enoic acid

3-[3-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]phenyl]prop-2-enoic acid (PubChem CID 68654469) has the molecular formula C32H34O3 and a molecular weight of 466.62 g/mol. Its IUPAC name is 3-[3-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[3-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]phenyl]prop-2-enoic acid
PubChem CID68654469
Molecular FormulaC32H34O3
Molecular Weight466.62 g/mol
Exact Mass466.25
IUPAC Name3-[3-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]phenyl]prop-2-enoic acid
SMILESCC1(C)CC(=C(c2ccc(O)cc2)c2ccc(-c3cccc(C=CC(=O)O)c3)cc2)CC(C)(C)C1
InChIInChI=1S/C32H34O3/c1-31(2)19-27(20-32(3,4)21-31)30(25-13-15-28(33)16-14-25)24-11-9-23(10-12-24)26-7-5-6-22(18-26)8-17-29(34)35/h5-18,33H,19-21H2,1-4H3,(H,34,35)
InChIKeyNDEYJKKJWBKIIR-UHFFFAOYSA-N
XLogP8.20
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.62
LogP ≤ 58.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[3-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]phenyl]prop-2-enoic acid 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

3-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]prop-2-enamide
CID 68654568
(E)-N-hydroxy-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enamide;(E)-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enoic acid
CID 159561023
(E)-3-[3-(3-methylphenyl)phenyl]prop-2-enoic acid
CID 87253241
(E)-3-[3-(4-methoxyphenyl)phenyl]prop-2-enoic acid
CID 11161124
(E)-3-[3-(4-fluorophenyl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 57390960
3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoic acid
CID 68584496
tert-butyl 2-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]pyrrole-1-carboxylate
CID 68654540
(Z)-3-[3-(4-acetylphenyl)phenyl]prop-2-enamide
CID 170877551
(E)-3-[3-[7-hydroxy-3-(4-hydroxyphenyl)-2H-thiochromen-4-yl]phenyl]prop-2-enoic acid
CID 23537933
3-[3-[3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl]-1-(4-phenylphenyl)prop-2-en-1-one
CID 3939138
(E)-3-azulen-2-yl-1-azulen-6-ylprop-2-en-1-one
CID 101376278
3-methyl-5-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]penta-2,4-dienoic acid
CID 57075355

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]phenyl]prop-2-enoic acid?
The IUPAC name of 3-[3-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]phenyl]prop-2-enoic acid (CID 68654469) is 3-[3-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]phenyl]prop-2-enoic acid.
What is the SMILES notation for 3-[3-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]phenyl]prop-2-enoic acid?
The canonical SMILES for 3-[3-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]phenyl]prop-2-enoic acid is CC1(C)CC(=C(c2ccc(O)cc2)c2ccc(-c3cccc(C=CC(=O)O)c3)cc2)CC(C)(C)C1.
What is the InChIKey of 3-[3-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]phenyl]prop-2-enoic acid?
The InChIKey is NDEYJKKJWBKIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O3/c1-31(2)19-27(20-32(3,4)21-31)30(25-13-15-28(33)16-14-25)24-11-9-23(10-12-24)26-7-5-6-22(18-26)8-17-29(34)35/h5-18,33H,19-21H2,1-4H3,(H,34,35).
What are the key properties of 3-[3-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]phenyl]prop-2-enoic acid?
3-[3-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]phenyl]prop-2-enoic acid has a molecular weight of 466.62 g/mol, XLogP of 8.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]phenyl]prop-2-enoic acid is sourced from PubChem (CID 68654469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).