2-[(1R)-2-(5-phenylpentyl)cyclopentyl]ethane-1,1-diol

C18H28O2 — CID 142188732

IUPAC2-[(1R)-2-(5-phenylpentyl)cyclopentyl]ethane-1,1-diol
SMILESOC(O)C[C@H]1CCCC1CCCCCc1ccccc1
InChIInChI=1S/C18H28O2/c19-18(20)14-17-13-7-12-16(17)11-6-2-5-10-15-8-3-1-4-9-15/h1,3-4,8-9,16-20H,2,5-7,10-14H2/t16?,17-/m1/s1
InChIKeyPGUOEVMKXGABSU-ZYMOGRSISA-N
MW276.42 g/mol
LogP3.91
Rot. Bonds8

About 2-[(1R)-2-(5-phenylpentyl)cyclopentyl]ethane-1,1-diol

2-[(1R)-2-(5-phenylpentyl)cyclopentyl]ethane-1,1-diol (PubChem CID 142188732) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[(1R)-2-(5-phenylpentyl)cyclopentyl]ethane-1,1-diol.

Molecular Properties

Compound Name2-[(1R)-2-(5-phenylpentyl)cyclopentyl]ethane-1,1-diol
PubChem CID142188732
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name2-[(1R)-2-(5-phenylpentyl)cyclopentyl]ethane-1,1-diol
SMILESOC(O)C[C@H]1CCCC1CCCCCc1ccccc1
InChIInChI=1S/C18H28O2/c19-18(20)14-17-13-7-12-16(17)11-6-2-5-10-15-8-3-1-4-9-15/h1,3-4,8-9,16-20H,2,5-7,10-14H2/t16?,17-/m1/s1
InChIKeyPGUOEVMKXGABSU-ZYMOGRSISA-N
XLogP3.91
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[(1R)-2-(5-phenylpentyl)cyclopentyl]ethane-1,1-diol 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-[(1R)-2-(6-phenylhexyl)cyclopentyl]ethanol
CID 142188842
5-[2,6-bis(2-fluoro-2-phenylethyl)cyclohexyl]pentylbenzene
CID 57246717
(Z)-6-[2-(5-phenylpentyl)cyclopentyl]hex-5-enoic acid
CID 144709528
methyl 2-(4-phenylbutyl)cyclopentane-1-carboxylate
CID 70055348
5-cyclopropylpentylbenzene
CID 91089836
4-cyclopropylbutylbenzene
CID 10261592
15-phenylpentadecane-1,1-diol
CID 139927269
3-(4-phenylbutyl)oxan-4-ol
CID 106471164
2-(4-phenylbutyl)-4-propan-2-ylcyclohexan-1-ol
CID 114334467
4-phenylbutylbenzene
CID 141301927
cis-(1S,2R)-2-(2-phenylethyl)cyclopentan-1-amine
CID 92754802
cis-(1R,2S)-2-(2-phenylethyl)cyclopentan-1-amine
CID 92754803

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-(5-phenylpentyl)cyclopentyl]ethane-1,1-diol?
The IUPAC name of 2-[(1R)-2-(5-phenylpentyl)cyclopentyl]ethane-1,1-diol (CID 142188732) is 2-[(1R)-2-(5-phenylpentyl)cyclopentyl]ethane-1,1-diol.
What is the SMILES notation for 2-[(1R)-2-(5-phenylpentyl)cyclopentyl]ethane-1,1-diol?
The canonical SMILES for 2-[(1R)-2-(5-phenylpentyl)cyclopentyl]ethane-1,1-diol is OC(O)C[C@H]1CCCC1CCCCCc1ccccc1.
What is the InChIKey of 2-[(1R)-2-(5-phenylpentyl)cyclopentyl]ethane-1,1-diol?
The InChIKey is PGUOEVMKXGABSU-ZYMOGRSISA-N. The full InChI is InChI=1S/C18H28O2/c19-18(20)14-17-13-7-12-16(17)11-6-2-5-10-15-8-3-1-4-9-15/h1,3-4,8-9,16-20H,2,5-7,10-14H2/t16?,17-/m1/s1.
What are the key properties of 2-[(1R)-2-(5-phenylpentyl)cyclopentyl]ethane-1,1-diol?
2-[(1R)-2-(5-phenylpentyl)cyclopentyl]ethane-1,1-diol has a molecular weight of 276.42 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-(5-phenylpentyl)cyclopentyl]ethane-1,1-diol is sourced from PubChem (CID 142188732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).