2-[(1R)-2-(6-phenylhexyl)cyclopentyl]ethanol

C19H30O — CID 142188842

IUPAC2-[(1R)-2-(6-phenylhexyl)cyclopentyl]ethanol
SMILESOCC[C@H]1CCCC1CCCCCCc1ccccc1
InChIInChI=1S/C19H30O/c20-16-15-19-14-8-13-18(19)12-7-2-1-4-9-17-10-5-3-6-11-17/h3,5-6,10-11,18-20H,1-2,4,7-9,12-16H2/t18?,19-/m1/s1
InChIKeyOFXQHAAHBFHWSR-MUMRKEEXSA-N
MW274.45 g/mol
LogP4.98
Rot. Bonds9

About 2-[(1R)-2-(6-phenylhexyl)cyclopentyl]ethanol

2-[(1R)-2-(6-phenylhexyl)cyclopentyl]ethanol (PubChem CID 142188842) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-[(1R)-2-(6-phenylhexyl)cyclopentyl]ethanol.

Molecular Properties

Compound Name2-[(1R)-2-(6-phenylhexyl)cyclopentyl]ethanol
PubChem CID142188842
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name2-[(1R)-2-(6-phenylhexyl)cyclopentyl]ethanol
SMILESOCC[C@H]1CCCC1CCCCCCc1ccccc1
InChIInChI=1S/C19H30O/c20-16-15-19-14-8-13-18(19)12-7-2-1-4-9-17-10-5-3-6-11-17/h3,5-6,10-11,18-20H,1-2,4,7-9,12-16H2/t18?,19-/m1/s1
InChIKeyOFXQHAAHBFHWSR-MUMRKEEXSA-N
XLogP4.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Phenylethanol
CID 6054
Benzenepropanol
CID 31234
alpha-(2-Methylpropyl)benzeneethanol
CID 62661
2-Phenyl-1-propanol
CID 14295
4-Phenyl-2-butanol
CID 61302
5-Phenyl-1-pentanol
CID 61523
1-Phenyl-2-pentanol
CID 61202
2-Phenylcyclohexanol
CID 15046
Phenylisohexanol
CID 108312
Benzenebutanol
CID 76889
Benzeneethanol, 4-(1-methylethyl)-
CID 82349
beta-Phenylphenethyl alcohol
CID 74662

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-(6-phenylhexyl)cyclopentyl]ethanol?
The IUPAC name of 2-[(1R)-2-(6-phenylhexyl)cyclopentyl]ethanol (CID 142188842) is 2-[(1R)-2-(6-phenylhexyl)cyclopentyl]ethanol.
What is the SMILES notation for 2-[(1R)-2-(6-phenylhexyl)cyclopentyl]ethanol?
The canonical SMILES for 2-[(1R)-2-(6-phenylhexyl)cyclopentyl]ethanol is OCC[C@H]1CCCC1CCCCCCc1ccccc1.
What is the InChIKey of 2-[(1R)-2-(6-phenylhexyl)cyclopentyl]ethanol?
The InChIKey is OFXQHAAHBFHWSR-MUMRKEEXSA-N. The full InChI is InChI=1S/C19H30O/c20-16-15-19-14-8-13-18(19)12-7-2-1-4-9-17-10-5-3-6-11-17/h3,5-6,10-11,18-20H,1-2,4,7-9,12-16H2/t18?,19-/m1/s1.
What are the key properties of 2-[(1R)-2-(6-phenylhexyl)cyclopentyl]ethanol?
2-[(1R)-2-(6-phenylhexyl)cyclopentyl]ethanol has a molecular weight of 274.45 g/mol, XLogP of 4.98, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-(6-phenylhexyl)cyclopentyl]ethanol is sourced from PubChem (CID 142188842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).