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

C15H21ClO — CID 106866029

IUPAC1-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclohexan-1-ol
SMILESCc1ccc(CC2(O)CCCCC2C)c(Cl)c1
InChIInChI=1S/C15H21ClO/c1-11-6-7-13(14(16)9-11)10-15(17)8-4-3-5-12(15)2/h6-7,9,12,17H,3-5,8,10H2,1-2H3
InChIKeyLFEFSCIBMBZNEX-UHFFFAOYSA-N
MW252.78 g/mol
LogP4.13
Rot. Bonds2

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

1-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclohexan-1-ol (PubChem CID 106866029) has the molecular formula C15H21ClO and a molecular weight of 252.78 g/mol. Its IUPAC name is 1-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclohexan-1-ol
PubChem CID106866029
Molecular FormulaC15H21ClO
Molecular Weight252.78 g/mol
Exact Mass252.13
IUPAC Name1-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclohexan-1-ol
SMILESCc1ccc(CC2(O)CCCCC2C)c(Cl)c1
InChIInChI=1S/C15H21ClO/c1-11-6-7-13(14(16)9-11)10-15(17)8-4-3-5-12(15)2/h6-7,9,12,17H,3-5,8,10H2,1-2H3
InChIKeyLFEFSCIBMBZNEX-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-chloro-4-fluorophenyl)methyl]-2-methylcyclohexan-1-ol
CID 65147740
1-[(2-chloro-4-methylphenyl)methyl]-2-ethylcyclopentan-1-ol
CID 106866634
1-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-ol
CID 106866034
1-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclohexan-1-ol
CID 114346704
[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanol
CID 106870584
1-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclohexan-1-ol
CID 112652934
1-[(2-chloro-4-methylphenyl)methyl]cyclobutan-1-amine
CID 106870484
2-[(2-chloro-4-methylphenyl)methyl]-2-cyclopropylazepane
CID 106868498
1-[(5-chloro-2-methoxyphenyl)methyl]-2-methylcyclopentan-1-ol
CID 65154299
1-[2-(2-chloro-4-methylphenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 106867637
2-(2-chloro-4-methylphenyl)-1-(1-hydroxycycloheptyl)ethanone
CID 106867191
2-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 106866083

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclohexan-1-ol?
The IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclohexan-1-ol (CID 106866029) is 1-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclohexan-1-ol is Cc1ccc(CC2(O)CCCCC2C)c(Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclohexan-1-ol?
The InChIKey is LFEFSCIBMBZNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO/c1-11-6-7-13(14(16)9-11)10-15(17)8-4-3-5-12(15)2/h6-7,9,12,17H,3-5,8,10H2,1-2H3.
What are the key properties of 1-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclohexan-1-ol?
1-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclohexan-1-ol has a molecular weight of 252.78 g/mol, XLogP of 4.13, 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]-2-methylcyclohexan-1-ol is sourced from PubChem (CID 106866029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).