2-(1-hydroxycyclohexyl)-2-[4-(2-phenylethyl)phenyl]acetic acid

C22H26O3 — CID 68855874

IUPAC2-(1-hydroxycyclohexyl)-2-[4-(2-phenylethyl)phenyl]acetic acid
SMILESO=C(O)C(c1ccc(CCc2ccccc2)cc1)C1(O)CCCCC1
InChIInChI=1S/C22H26O3/c23-21(24)20(22(25)15-5-2-6-16-22)19-13-11-18(12-14-19)10-9-17-7-3-1-4-8-17/h1,3-4,7-8,11-14,20,25H,2,5-6,9-10,15-16H2,(H,23,24)
InChIKeyVQFCGTMPBSTTCK-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.34
Rot. Bonds6

About 2-(1-hydroxycyclohexyl)-2-[4-(2-phenylethyl)phenyl]acetic acid

2-(1-hydroxycyclohexyl)-2-[4-(2-phenylethyl)phenyl]acetic acid (PubChem CID 68855874) has the molecular formula C22H26O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-2-[4-(2-phenylethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-2-[4-(2-phenylethyl)phenyl]acetic acid
PubChem CID68855874
Molecular FormulaC22H26O3
Molecular Weight338.45 g/mol
Exact Mass338.19
IUPAC Name2-(1-hydroxycyclohexyl)-2-[4-(2-phenylethyl)phenyl]acetic acid
SMILESO=C(O)C(c1ccc(CCc2ccccc2)cc1)C1(O)CCCCC1
InChIInChI=1S/C22H26O3/c23-21(24)20(22(25)15-5-2-6-16-22)19-13-11-18(12-14-19)10-9-17-7-3-1-4-8-17/h1,3-4,7-8,11-14,20,25H,2,5-6,9-10,15-16H2,(H,23,24)
InChIKeyVQFCGTMPBSTTCK-UHFFFAOYSA-N
XLogP4.34
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(1-hydroxycyclohexyl)-2-[4-(2-phenylethyl)phenyl]acetic 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

(2S)-2-(4-fluorophenyl)-2-(1-hydroxycyclohexyl)acetic acid
CID 129389781
(2S)-2-(1-hydroxycyclohexyl)-2-(4-trimethylsilylphenyl)acetic acid
CID 125466602
4-[2-(1-hydroxycyclohexyl)-2-[4-(2-phenylethyl)phenyl]ethyl]piperazine-1-carboxylic acid
CID 91024951
2-(1-hydroxycyclohexyl)-2-[4-(trifluoromethoxy)phenyl]acetic acid
CID 68852749
2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)acetic acid
CID 68853928
2-(1-hydroxycyclohexyl)-N-methyl-2-phenylacetamide
CID 70447762
1-(1-hydroxy-3-phenylpropyl)cyclopentan-1-ol
CID 103448481
(2R)-2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 129386467
2-(1-hydroxycyclohexyl)-2-[2-(2-phenylethyl)phenyl]-1-piperazin-1-ylethanone
CID 174510591
2-(3-bromo-4-methoxyphenyl)-2-(1-hydroxycyclohexyl)acetic acid
CID 68854196
benzyl-diethyl-[2-[2-(1-hydroxycyclohexyl)-2-phenylacetyl]oxyethyl]azanium bromide
CID 134828179
benzyl N-[1-(1-hydroxycyclohexyl)-3-phenylpropyl]carbamate
CID 14974102

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-2-[4-(2-phenylethyl)phenyl]acetic acid?
The IUPAC name of 2-(1-hydroxycyclohexyl)-2-[4-(2-phenylethyl)phenyl]acetic acid (CID 68855874) is 2-(1-hydroxycyclohexyl)-2-[4-(2-phenylethyl)phenyl]acetic acid.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-2-[4-(2-phenylethyl)phenyl]acetic acid?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-2-[4-(2-phenylethyl)phenyl]acetic acid is O=C(O)C(c1ccc(CCc2ccccc2)cc1)C1(O)CCCCC1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-2-[4-(2-phenylethyl)phenyl]acetic acid?
The InChIKey is VQFCGTMPBSTTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O3/c23-21(24)20(22(25)15-5-2-6-16-22)19-13-11-18(12-14-19)10-9-17-7-3-1-4-8-17/h1,3-4,7-8,11-14,20,25H,2,5-6,9-10,15-16H2,(H,23,24).
What are the key properties of 2-(1-hydroxycyclohexyl)-2-[4-(2-phenylethyl)phenyl]acetic acid?
2-(1-hydroxycyclohexyl)-2-[4-(2-phenylethyl)phenyl]acetic acid has a molecular weight of 338.45 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-2-[4-(2-phenylethyl)phenyl]acetic acid is sourced from PubChem (CID 68855874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).