2-[2-[4-[4-(cyclohexylmethoxy)phenyl]phenyl]-2-oxoethyl]-5-phenylpentanoic acid

C32H36O4 — CID 139887948

IUPAC2-[2-[4-[4-(cyclohexylmethoxy)phenyl]phenyl]-2-oxoethyl]-5-phenylpentanoic acid
SMILESO=C(CC(CCCc1ccccc1)C(=O)O)c1ccc(-c2ccc(OCC3CCCCC3)cc2)cc1
InChIInChI=1S/C32H36O4/c33-31(22-29(32(34)35)13-7-12-24-8-3-1-4-9-24)28-16-14-26(15-17-28)27-18-20-30(21-19-27)36-23-25-10-5-2-6-11-25/h1,3-4,8-9,14-21,25,29H,2,5-7,10-13,22-23H2,(H,34,35)
InChIKeyOTFQHRDKPALMTN-UHFFFAOYSA-N
MW484.64 g/mol
LogP7.61
Rot. Bonds12

About 2-[2-[4-[4-(cyclohexylmethoxy)phenyl]phenyl]-2-oxoethyl]-5-phenylpentanoic acid

2-[2-[4-[4-(cyclohexylmethoxy)phenyl]phenyl]-2-oxoethyl]-5-phenylpentanoic acid (PubChem CID 139887948) has the molecular formula C32H36O4 and a molecular weight of 484.64 g/mol. Its IUPAC name is 2-[2-[4-[4-(cyclohexylmethoxy)phenyl]phenyl]-2-oxoethyl]-5-phenylpentanoic acid.

Molecular Properties

Compound Name2-[2-[4-[4-(cyclohexylmethoxy)phenyl]phenyl]-2-oxoethyl]-5-phenylpentanoic acid
PubChem CID139887948
Molecular FormulaC32H36O4
Molecular Weight484.64 g/mol
Exact Mass484.26
IUPAC Name2-[2-[4-[4-(cyclohexylmethoxy)phenyl]phenyl]-2-oxoethyl]-5-phenylpentanoic acid
SMILESO=C(CC(CCCc1ccccc1)C(=O)O)c1ccc(-c2ccc(OCC3CCCCC3)cc2)cc1
InChIInChI=1S/C32H36O4/c33-31(22-29(32(34)35)13-7-12-24-8-3-1-4-9-24)28-16-14-26(15-17-28)27-18-20-30(21-19-27)36-23-25-10-5-2-6-11-25/h1,3-4,8-9,14-21,25,29H,2,5-7,10-13,22-23H2,(H,34,35)
InChIKeyOTFQHRDKPALMTN-UHFFFAOYSA-N
XLogP7.61
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.64
LogP ≤ 57.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[4-[4-(cyclohexylmethoxy)phenyl]phenyl]-2-oxoethyl]-5-phenylpentanoic 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

1-(cyclohexylmethoxy)-4-phenylbenzene
CID 59950067
2-benzyl-4-oxo-4-phenylbutanoic acid;2-(cyclohexylmethyl)-4-(4-methoxyphenyl)-4-oxobutanoic acid
CID 161449495
2-tert-butyl-N-[(2S)-1-[4-(cyclohexylmethoxy)phenyl]-3-oxopropan-2-yl]-5-phenylpentanamide
CID 142041257
cyclohexylmethoxybenzene
CID 14399287
2-[2-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxoethyl]-5-phenylpentanoic acid
CID 22992514
1-[4-(cyclobutylmethoxy)phenyl]propan-1-one
CID 65459422
4-[4-[4-(2-methylpropanoylamino)phenyl]phenyl]-4-oxo-2-(2-phenylethyl)butanoic acid
CID 143314276
(2S)-2-[(2S)-2-hydroxy-2-[4-(4-phenylmethoxyphenyl)phenyl]ethyl]-5-phenylpentanoic acid
CID 57129437
2-[4-(cyclohexylmethoxy)phenyl]ethanol
CID 113369507
methyl 2-[2-(4-bromophenyl)-2-oxoethyl]-5-phenylpentanoate
CID 54453895
cyclohexanamine;3-[4-(3-phenylpropoxy)phenyl]butanoic acid
CID 45052898
[4-(cyclopentylmethoxy)phenyl]-cyclopropylmethanone
CID 6482543

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[4-(cyclohexylmethoxy)phenyl]phenyl]-2-oxoethyl]-5-phenylpentanoic acid?
The IUPAC name of 2-[2-[4-[4-(cyclohexylmethoxy)phenyl]phenyl]-2-oxoethyl]-5-phenylpentanoic acid (CID 139887948) is 2-[2-[4-[4-(cyclohexylmethoxy)phenyl]phenyl]-2-oxoethyl]-5-phenylpentanoic acid.
What is the SMILES notation for 2-[2-[4-[4-(cyclohexylmethoxy)phenyl]phenyl]-2-oxoethyl]-5-phenylpentanoic acid?
The canonical SMILES for 2-[2-[4-[4-(cyclohexylmethoxy)phenyl]phenyl]-2-oxoethyl]-5-phenylpentanoic acid is O=C(CC(CCCc1ccccc1)C(=O)O)c1ccc(-c2ccc(OCC3CCCCC3)cc2)cc1.
What is the InChIKey of 2-[2-[4-[4-(cyclohexylmethoxy)phenyl]phenyl]-2-oxoethyl]-5-phenylpentanoic acid?
The InChIKey is OTFQHRDKPALMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36O4/c33-31(22-29(32(34)35)13-7-12-24-8-3-1-4-9-24)28-16-14-26(15-17-28)27-18-20-30(21-19-27)36-23-25-10-5-2-6-11-25/h1,3-4,8-9,14-21,25,29H,2,5-7,10-13,22-23H2,(H,34,35).
What are the key properties of 2-[2-[4-[4-(cyclohexylmethoxy)phenyl]phenyl]-2-oxoethyl]-5-phenylpentanoic acid?
2-[2-[4-[4-(cyclohexylmethoxy)phenyl]phenyl]-2-oxoethyl]-5-phenylpentanoic acid has a molecular weight of 484.64 g/mol, XLogP of 7.61, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[4-(cyclohexylmethoxy)phenyl]phenyl]-2-oxoethyl]-5-phenylpentanoic acid is sourced from PubChem (CID 139887948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).