2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol

C15H21ClO — CID 66059074

IUPAC2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol
SMILESOCC(Cc1cccc(Cl)c1)CC1CCCC1
InChIInChI=1S/C15H21ClO/c16-15-7-3-6-13(10-15)9-14(11-17)8-12-4-1-2-5-12/h3,6-7,10,12,14,17H,1-2,4-5,8-9,11H2
InChIKeyREWFBEJNOWBDBV-UHFFFAOYSA-N
MW252.78 g/mol
LogP4.07
Rot. Bonds5

About 2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol

2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol (PubChem CID 66059074) has the molecular formula C15H21ClO and a molecular weight of 252.78 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol
PubChem CID66059074
Molecular FormulaC15H21ClO
Molecular Weight252.78 g/mol
Exact Mass252.13
IUPAC Name2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol
SMILESOCC(Cc1cccc(Cl)c1)CC1CCCC1
InChIInChI=1S/C15H21ClO/c16-15-7-3-6-13(10-15)9-14(11-17)8-12-4-1-2-5-12/h3,6-7,10,12,14,17H,1-2,4-5,8-9,11H2
InChIKeyREWFBEJNOWBDBV-UHFFFAOYSA-N
XLogP4.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.78
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-amine
CID 63497587
2-benzyl-3-cyclohexylpropan-1-ol
CID 66060213
1-(2-bromo-3-cyclopentylpropyl)-3-chlorobenzene
CID 63530757
2-(3-chlorophenyl)-1-cycloheptylethanol
CID 63518276
2-[(3-chlorophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol
CID 103142480
1-chloro-3-(2-chloro-2-cyclopropylethyl)benzene
CID 63016501
2-[(3-chlorophenyl)methyl]-4-(oxolan-2-yl)butan-1-ol
CID 66060580
2-(3-chlorophenyl)-1-cyclopentylethanamine
CID 60818439
(2S)-2-[(3-chlorophenyl)methyl]hexane-1,6-diol
CID 172914223
2-[(3-methylphenyl)methyl]-3-(oxan-4-yl)propan-1-ol
CID 66057601
1-(3-chlorophenyl)-3-(thian-4-yl)propan-2-ol
CID 105076726
2-[(3-chlorophenyl)methyl]-4-methoxybutan-1-ol
CID 66057400

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol (CID 66059074) is 2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol is OCC(Cc1cccc(Cl)c1)CC1CCCC1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol?
The InChIKey is REWFBEJNOWBDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO/c16-15-7-3-6-13(10-15)9-14(11-17)8-12-4-1-2-5-12/h3,6-7,10,12,14,17H,1-2,4-5,8-9,11H2.
What are the key properties of 2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol?
2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol has a molecular weight of 252.78 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol is sourced from PubChem (CID 66059074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).