1-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-ol

C13H17ClO — CID 106866034

IUPAC1-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-ol
SMILESCc1ccc(CC2(O)CCCC2)c(Cl)c1
InChIInChI=1S/C13H17ClO/c1-10-4-5-11(12(14)8-10)9-13(15)6-2-3-7-13/h4-5,8,15H,2-3,6-7,9H2,1H3
InChIKeyZGACOXVLKORCOL-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.50
Rot. Bonds2

About 1-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-ol

1-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-ol (PubChem CID 106866034) has the molecular formula C13H17ClO and a molecular weight of 224.73 g/mol. Its IUPAC name is 1-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-ol
PubChem CID106866034
Molecular FormulaC13H17ClO
Molecular Weight224.73 g/mol
Exact Mass224.10
IUPAC Name1-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-ol
SMILESCc1ccc(CC2(O)CCCC2)c(Cl)c1
InChIInChI=1S/C13H17ClO/c1-10-4-5-11(12(14)8-10)9-13(15)6-2-3-7-13/h4-5,8,15H,2-3,6-7,9H2,1H3
InChIKeyZGACOXVLKORCOL-UHFFFAOYSA-N
XLogP3.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 106866083
[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanol
CID 106870584
1-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclohexan-1-ol
CID 106866029
1-[(2-chloro-4-methylphenyl)methyl]cyclobutan-1-amine
CID 106870484
2-(2-chloro-4-methylphenyl)-1-(1-hydroxycycloheptyl)ethanone
CID 106867191
1-[2-(2-chloro-4-methylphenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 106867637
1-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-ol
CID 62161336
1-[(2-chloro-4-methylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 106865439
4-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-2-methyloxan-4-ol
CID 106866348
1-[(2-chloro-4-methylphenyl)methyl]-2-ethylcyclopentan-1-ol
CID 106866634
1-[(2-chlorophenyl)methyl]cycloheptan-1-ol
CID 60797945
1-[(4-bromo-2-chlorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol
CID 113471149

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-ol (CID 106866034) is 1-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-ol is Cc1ccc(CC2(O)CCCC2)c(Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-ol?
The InChIKey is ZGACOXVLKORCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO/c1-10-4-5-11(12(14)8-10)9-13(15)6-2-3-7-13/h4-5,8,15H,2-3,6-7,9H2,1H3.
What are the key properties of 1-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-ol?
1-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-ol has a molecular weight of 224.73 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 106866034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).