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

C15H21ClO — CID 106869160

IUPAC2-[(2-chloro-4-methylphenyl)methyl]-4-methylcyclohexan-1-ol
SMILESCc1ccc(CC2CC(C)CCC2O)c(Cl)c1
InChIInChI=1S/C15H21ClO/c1-10-4-6-15(17)13(7-10)9-12-5-3-11(2)8-14(12)16/h3,5,8,10,13,15,17H,4,6-7,9H2,1-2H3
InChIKeySYVSXQCCCYJUCQ-UHFFFAOYSA-N
MW252.78 g/mol
LogP3.99
Rot. Bonds2

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

2-[(2-chloro-4-methylphenyl)methyl]-4-methylcyclohexan-1-ol (PubChem CID 106869160) has the molecular formula C15H21ClO and a molecular weight of 252.78 g/mol. Its IUPAC name is 2-[(2-chloro-4-methylphenyl)methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2-chloro-4-methylphenyl)methyl]-4-methylcyclohexan-1-ol
PubChem CID106869160
Molecular FormulaC15H21ClO
Molecular Weight252.78 g/mol
Exact Mass252.13
IUPAC Name2-[(2-chloro-4-methylphenyl)methyl]-4-methylcyclohexan-1-ol
SMILESCc1ccc(CC2CC(C)CCC2O)c(Cl)c1
InChIInChI=1S/C15H21ClO/c1-10-4-6-15(17)13(7-10)9-12-5-3-11(2)8-14(12)16/h3,5,8,10,13,15,17H,4,6-7,9H2,1-2H3
InChIKeySYVSXQCCCYJUCQ-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.78
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chloro-4-methylphenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 106870915
3-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclopentan-1-ol
CID 106870221
2,4-dichloro-1-[(2-chloro-5-methylcyclohexyl)methyl]benzene
CID 63461138
2-[(2-chloro-4-methylphenyl)methyl]cyclopentane-1-carboxylic acid
CID 106870913
[2-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanamine
CID 106870924
2-[(2-chloro-4-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 106864992
2-[(2-chloro-4-methylphenyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid
CID 106870919
N-[[2-[(2-chloro-4-methylphenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 106870972
2-[(2-chlorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 81020551
N-[(2-chloro-4-methylphenyl)methyl]-2-(3-methylcyclohexyl)ethanamine
CID 106862699
1-chloro-2-[(2-chloro-4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 106869188
1-[(2-chloro-4-methylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 106866820

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methylphenyl)methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 2-[(2-chloro-4-methylphenyl)methyl]-4-methylcyclohexan-1-ol (CID 106869160) is 2-[(2-chloro-4-methylphenyl)methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 2-[(2-chloro-4-methylphenyl)methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 2-[(2-chloro-4-methylphenyl)methyl]-4-methylcyclohexan-1-ol is Cc1ccc(CC2CC(C)CCC2O)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-methylphenyl)methyl]-4-methylcyclohexan-1-ol?
The InChIKey is SYVSXQCCCYJUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO/c1-10-4-6-15(17)13(7-10)9-12-5-3-11(2)8-14(12)16/h3,5,8,10,13,15,17H,4,6-7,9H2,1-2H3.
What are the key properties of 2-[(2-chloro-4-methylphenyl)methyl]-4-methylcyclohexan-1-ol?
2-[(2-chloro-4-methylphenyl)methyl]-4-methylcyclohexan-1-ol has a molecular weight of 252.78 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-methylphenyl)methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 106869160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).