[2-(4-cyclohexylphenyl)-5-(hydroxymethyl)phenyl] 2-methylprop-2-enoate

C23H26O3 — CID 134200413

IUPAC[2-(4-cyclohexylphenyl)-5-(hydroxymethyl)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cc(CO)ccc1-c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C23H26O3/c1-16(2)23(25)26-22-14-17(15-24)8-13-21(22)20-11-9-19(10-12-20)18-6-4-3-5-7-18/h8-14,18,24H,1,3-7,15H2,2H3
InChIKeyIXGSZAMJUWKFKU-UHFFFAOYSA-N
MW350.46 g/mol
LogP5.38
Rot. Bonds5

About [2-(4-cyclohexylphenyl)-5-(hydroxymethyl)phenyl] 2-methylprop-2-enoate

[2-(4-cyclohexylphenyl)-5-(hydroxymethyl)phenyl] 2-methylprop-2-enoate (PubChem CID 134200413) has the molecular formula C23H26O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is [2-(4-cyclohexylphenyl)-5-(hydroxymethyl)phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(4-cyclohexylphenyl)-5-(hydroxymethyl)phenyl] 2-methylprop-2-enoate
PubChem CID134200413
Molecular FormulaC23H26O3
Molecular Weight350.46 g/mol
Exact Mass350.19
IUPAC Name[2-(4-cyclohexylphenyl)-5-(hydroxymethyl)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cc(CO)ccc1-c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C23H26O3/c1-16(2)23(25)26-22-14-17(15-24)8-13-21(22)20-11-9-19(10-12-20)18-6-4-3-5-7-18/h8-14,18,24H,1,3-7,15H2,2H3
InChIKeyIXGSZAMJUWKFKU-UHFFFAOYSA-N
XLogP5.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-(4-cyclohexylphenyl)-5-(hydroxymethyl)phenyl] 2-methylprop-2-enoate 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

[2-[4-(hydroxymethyl)phenyl]-5-(4-methylphenyl)phenyl] 2-methylprop-2-enoate
CID 145122374
[2-[4-(hydroxymethyl)phenyl]-5-phenylphenyl] 2-methylprop-2-enoate
CID 134198380
[2-[4-(4-cyclohexylphenyl)-3-methylphenyl]-5-(2-hydroxyethyl)phenyl]methyl 2-methylprop-2-enoate
CID 134201033
[5-(2-hydroxyethoxy)-2-[4-(4-methylcyclohexyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 145122769
2-[5-[4-(4-cyclohexylphenyl)-2-fluorophenyl]-2-(hydroxymethyl)phenyl]ethyl 2-methylprop-2-enoate
CID 134200912
3-[5-[4-(4-cyclohexylphenyl)-2-methylphenyl]-2-(hydroxymethyl)phenyl]propyl 2-methylprop-2-enoate
CID 134200914
2-[5-cyclohexyl-2-[4-(2-hydroxyethoxy)phenyl]phenyl]ethyl 2-methylprop-2-enoate
CID 134200423
2-[2-(4-cyclohexylphenyl)-5-(2-hydroxyethyl)phenoxy]ethyl prop-2-enoate
CID 134200843
[2-(4-cyclohexyl-2-ethylphenyl)-5-(3-hydroxypropyl)phenyl]methyl 2-methylprop-2-enoate
CID 134200902
3-[5-(4-cyclohexyl-2-fluorophenyl)-2-(2-hydroxyethoxy)phenyl]propyl 2-methylprop-2-enoate
CID 134200643
2-[5-(hydroxymethyl)-2-[2-methyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]ethyl 2-methylprop-2-enoate
CID 134193830
3-[5-(4-cyclohexyl-2-fluorophenyl)-2-(2-hydroxyethyl)phenyl]propyl 2-methylprop-2-enoate
CID 134200718

Frequently Asked Questions

What is the IUPAC name of [2-(4-cyclohexylphenyl)-5-(hydroxymethyl)phenyl] 2-methylprop-2-enoate?
The IUPAC name of [2-(4-cyclohexylphenyl)-5-(hydroxymethyl)phenyl] 2-methylprop-2-enoate (CID 134200413) is [2-(4-cyclohexylphenyl)-5-(hydroxymethyl)phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-(4-cyclohexylphenyl)-5-(hydroxymethyl)phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-(4-cyclohexylphenyl)-5-(hydroxymethyl)phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1cc(CO)ccc1-c1ccc(C2CCCCC2)cc1.
What is the InChIKey of [2-(4-cyclohexylphenyl)-5-(hydroxymethyl)phenyl] 2-methylprop-2-enoate?
The InChIKey is IXGSZAMJUWKFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O3/c1-16(2)23(25)26-22-14-17(15-24)8-13-21(22)20-11-9-19(10-12-20)18-6-4-3-5-7-18/h8-14,18,24H,1,3-7,15H2,2H3.
What are the key properties of [2-(4-cyclohexylphenyl)-5-(hydroxymethyl)phenyl] 2-methylprop-2-enoate?
[2-(4-cyclohexylphenyl)-5-(hydroxymethyl)phenyl] 2-methylprop-2-enoate has a molecular weight of 350.46 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-cyclohexylphenyl)-5-(hydroxymethyl)phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 134200413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).