1-[(2-chloro-4-fluorophenyl)methyl]-3-methoxycyclohexan-1-ol

C14H18ClFO2 — CID 106873962

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-3-methoxycyclohexan-1-ol
SMILESCOC1CCCC(O)(Cc2ccc(F)cc2Cl)C1
InChIInChI=1S/C14H18ClFO2/c1-18-12-3-2-6-14(17,9-12)8-10-4-5-11(16)7-13(10)15/h4-5,7,12,17H,2-3,6,8-9H2,1H3
InChIKeyXEGHLYWETPRMOD-UHFFFAOYSA-N
MW272.75 g/mol
LogP3.34
Rot. Bonds3

About 1-[(2-chloro-4-fluorophenyl)methyl]-3-methoxycyclohexan-1-ol

1-[(2-chloro-4-fluorophenyl)methyl]-3-methoxycyclohexan-1-ol (PubChem CID 106873962) has the molecular formula C14H18ClFO2 and a molecular weight of 272.75 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-3-methoxycyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-3-methoxycyclohexan-1-ol
PubChem CID106873962
Molecular FormulaC14H18ClFO2
Molecular Weight272.75 g/mol
Exact Mass272.10
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-3-methoxycyclohexan-1-ol
SMILESCOC1CCCC(O)(Cc2ccc(F)cc2Cl)C1
InChIInChI=1S/C14H18ClFO2/c1-18-12-3-2-6-14(17,9-12)8-10-4-5-11(16)7-13(10)15/h4-5,7,12,17H,2-3,6,8-9H2,1H3
InChIKeyXEGHLYWETPRMOD-UHFFFAOYSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chloro-4-fluorophenyl)methyl]-2-methylcyclohexan-1-ol
CID 65147740
1-[(4-bromo-2-chlorophenyl)methyl]-3-methoxycyclobutan-1-ol
CID 106823811
3-[(2-chloro-4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 65145900
3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-ol
CID 102617388
1-[(2-chloro-4-fluorophenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol
CID 81315223
1-[(3,4-dimethylphenyl)methyl]-3-methoxycyclohexan-1-ol
CID 106873859
1-[(2,4-difluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449843
1-[(2,4-dichlorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449760
3-[(2-chloro-4-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol
CID 65146244
1-[(2-chloro-4-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79853110
1-[(2-chloro-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65080210
2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-ol
CID 65147155

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-3-methoxycyclohexan-1-ol?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-3-methoxycyclohexan-1-ol (CID 106873962) is 1-[(2-chloro-4-fluorophenyl)methyl]-3-methoxycyclohexan-1-ol.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-3-methoxycyclohexan-1-ol?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-3-methoxycyclohexan-1-ol is COC1CCCC(O)(Cc2ccc(F)cc2Cl)C1.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-3-methoxycyclohexan-1-ol?
The InChIKey is XEGHLYWETPRMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFO2/c1-18-12-3-2-6-14(17,9-12)8-10-4-5-11(16)7-13(10)15/h4-5,7,12,17H,2-3,6,8-9H2,1H3.
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-3-methoxycyclohexan-1-ol?
1-[(2-chloro-4-fluorophenyl)methyl]-3-methoxycyclohexan-1-ol has a molecular weight of 272.75 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]-3-methoxycyclohexan-1-ol is sourced from PubChem (CID 106873962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).