2-(3-chlorophenyl)-1-cycloheptylethanol

C15H21ClO — CID 63518276

IUPAC2-(3-chlorophenyl)-1-cycloheptylethanol
SMILESOC(Cc1cccc(Cl)c1)C1CCCCCC1
InChIInChI=1S/C15H21ClO/c16-14-9-5-6-12(10-14)11-15(17)13-7-3-1-2-4-8-13/h5-6,9-10,13,15,17H,1-4,7-8,11H2
InChIKeyNLBDXDFQJFEFSS-UHFFFAOYSA-N
MW252.78 g/mol
LogP4.21
Rot. Bonds3

About 2-(3-chlorophenyl)-1-cycloheptylethanol

2-(3-chlorophenyl)-1-cycloheptylethanol (PubChem CID 63518276) has the molecular formula C15H21ClO and a molecular weight of 252.78 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-cycloheptylethanol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-cycloheptylethanol
PubChem CID63518276
Molecular FormulaC15H21ClO
Molecular Weight252.78 g/mol
Exact Mass252.13
IUPAC Name2-(3-chlorophenyl)-1-cycloheptylethanol
SMILESOC(Cc1cccc(Cl)c1)C1CCCCCC1
InChIInChI=1S/C15H21ClO/c16-14-9-5-6-12(10-14)11-15(17)13-7-3-1-2-4-8-13/h5-6,9-10,13,15,17H,1-4,7-8,11H2
InChIKeyNLBDXDFQJFEFSS-UHFFFAOYSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.78
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
CID 65389818
2-(3-bromophenyl)-1-cycloheptylethanol
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1-cyclohexyl-2-(3-methylphenyl)ethanol
CID 60798994
2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanol
CID 105076793
2-(3-chlorophenyl)-1-cyclopentylethanamine
CID 60818439
2-(3-chlorophenyl)-1-cycloheptyl-N-methylethanamine
CID 63528651
1-cycloheptyl-2-(2,5-dichlorophenyl)ethanol
CID 65399864
(1R)-1-cyclopentyl-2-phenylethanol
CID 39238299
2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol
CID 66059074
2-(3-chlorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79909726
2-(4-chloro-2-fluorophenyl)-1-cycloheptylethanol
CID 114852326
1-chloro-3-(2-chloro-2-cyclopropylethyl)benzene
CID 63016501

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-cycloheptylethanol?
The IUPAC name of 2-(3-chlorophenyl)-1-cycloheptylethanol (CID 63518276) is 2-(3-chlorophenyl)-1-cycloheptylethanol.
What is the SMILES notation for 2-(3-chlorophenyl)-1-cycloheptylethanol?
The canonical SMILES for 2-(3-chlorophenyl)-1-cycloheptylethanol is OC(Cc1cccc(Cl)c1)C1CCCCCC1.
What is the InChIKey of 2-(3-chlorophenyl)-1-cycloheptylethanol?
The InChIKey is NLBDXDFQJFEFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO/c16-14-9-5-6-12(10-14)11-15(17)13-7-3-1-2-4-8-13/h5-6,9-10,13,15,17H,1-4,7-8,11H2.
What are the key properties of 2-(3-chlorophenyl)-1-cycloheptylethanol?
2-(3-chlorophenyl)-1-cycloheptylethanol has a molecular weight of 252.78 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-cycloheptylethanol is sourced from PubChem (CID 63518276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).