3-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclopentan-1-ol

C14H19ClO — CID 106870221

IUPAC3-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclopentan-1-ol
SMILESCc1ccc(CC2CCC(O)C2C)c(Cl)c1
InChIInChI=1S/C14H19ClO/c1-9-3-4-12(13(15)7-9)8-11-5-6-14(16)10(11)2/h3-4,7,10-11,14,16H,5-6,8H2,1-2H3
InChIKeyHKHVQUJACINPNF-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.60
Rot. Bonds2

About 3-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclopentan-1-ol

3-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclopentan-1-ol (PubChem CID 106870221) has the molecular formula C14H19ClO and a molecular weight of 238.76 g/mol. Its IUPAC name is 3-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclopentan-1-ol.

Molecular Properties

Compound Name3-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclopentan-1-ol
PubChem CID106870221
Molecular FormulaC14H19ClO
Molecular Weight238.76 g/mol
Exact Mass238.11
IUPAC Name3-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclopentan-1-ol
SMILESCc1ccc(CC2CCC(O)C2C)c(Cl)c1
InChIInChI=1S/C14H19ClO/c1-9-3-4-12(13(15)7-9)8-11-5-6-14(16)10(11)2/h3-4,7,10-11,14,16H,5-6,8H2,1-2H3
InChIKeyHKHVQUJACINPNF-UHFFFAOYSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chloro-4-methylphenyl)methyl]-4-methylcyclohexan-1-ol
CID 106869160
2-[(2-chloro-4-methylphenyl)methyl]cyclopentane-1-carboxylic acid
CID 106870913
2-[(2-chloro-4-methylphenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 106870915
[2-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanamine
CID 106870924
2-[(2-chloro-4-methylphenyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid
CID 106870919
2-[(2-chloro-4-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 106864992
1-chloro-2-[(2-chloro-4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 106869188
3-[(2-bromophenyl)methyl]-2-methylcyclopentan-1-ol
CID 64907505
N-[[2-[(2-chloro-4-methylphenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 106870972
4-[3-(2-chloro-4-methylphenyl)propyl]cyclohexan-1-ol
CID 70259668
1-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-ol
CID 106866034
N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine
CID 106862588

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclopentan-1-ol?
The IUPAC name of 3-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclopentan-1-ol (CID 106870221) is 3-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclopentan-1-ol.
What is the SMILES notation for 3-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclopentan-1-ol?
The canonical SMILES for 3-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclopentan-1-ol is Cc1ccc(CC2CCC(O)C2C)c(Cl)c1.
What is the InChIKey of 3-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclopentan-1-ol?
The InChIKey is HKHVQUJACINPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO/c1-9-3-4-12(13(15)7-9)8-11-5-6-14(16)10(11)2/h3-4,7,10-11,14,16H,5-6,8H2,1-2H3.
What are the key properties of 3-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclopentan-1-ol?
3-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclopentan-1-ol has a molecular weight of 238.76 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclopentan-1-ol is sourced from PubChem (CID 106870221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).