1-(4-chloro-3-fluorophenyl)-4-methylcyclohexan-1-ol

C13H16ClFO — CID 143626038

IUPAC1-(4-chloro-3-fluorophenyl)-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(c2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C13H16ClFO/c1-9-4-6-13(16,7-5-9)10-2-3-11(14)12(15)8-10/h2-3,8-9,16H,4-7H2,1H3
InChIKeyRZESPIMBYGMDLU-UHFFFAOYSA-N
MW242.72 g/mol
LogP3.88
Rot. Bonds1

About 1-(4-chloro-3-fluorophenyl)-4-methylcyclohexan-1-ol

1-(4-chloro-3-fluorophenyl)-4-methylcyclohexan-1-ol (PubChem CID 143626038) has the molecular formula C13H16ClFO and a molecular weight of 242.72 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-4-methylcyclohexan-1-ol
PubChem CID143626038
Molecular FormulaC13H16ClFO
Molecular Weight242.72 g/mol
Exact Mass242.09
IUPAC Name1-(4-chloro-3-fluorophenyl)-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(c2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C13H16ClFO/c1-9-4-6-13(16,7-5-9)10-2-3-11(14)12(15)8-10/h2-3,8-9,16H,4-7H2,1H3
InChIKeyRZESPIMBYGMDLU-UHFFFAOYSA-N
XLogP3.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-3-fluorophenyl)cyclopropan-1-ol
CID 107993183
1-(4-chloro-3-fluorophenyl)cyclobutan-1-ol
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CID 65084915
4-methyl-1-naphthalen-2-ylcyclohexan-1-ol
CID 55115883
1-(4-tert-butylphenyl)-4-methylcyclohexan-1-ol
CID 63408801
4-ethyl-1-(3-fluoro-4-methylphenyl)cycloheptan-1-ol
CID 107128079
1-(4-ethoxyphenyl)-4-methylcyclohexan-1-ol
CID 62788999
1-[(4-chloro-3-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 114012591
1-(3-fluorophenyl)-3-methylcyclopentan-1-ol
CID 64516449
2-chloro-5-(1-hydroxycyclopropyl)phenol
CID 84769519
1-(4-chloro-3-fluorophenyl)cyclobutan-1-amine
CID 82607558
4-[1-(3,4-difluorophenyl)-4-methylcyclohexyl]phenol
CID 149126952

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-4-methylcyclohexan-1-ol?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-4-methylcyclohexan-1-ol (CID 143626038) is 1-(4-chloro-3-fluorophenyl)-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-4-methylcyclohexan-1-ol is CC1CCC(O)(c2ccc(Cl)c(F)c2)CC1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-4-methylcyclohexan-1-ol?
The InChIKey is RZESPIMBYGMDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFO/c1-9-4-6-13(16,7-5-9)10-2-3-11(14)12(15)8-10/h2-3,8-9,16H,4-7H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-4-methylcyclohexan-1-ol?
1-(4-chloro-3-fluorophenyl)-4-methylcyclohexan-1-ol has a molecular weight of 242.72 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-4-methylcyclohexan-1-ol is sourced from PubChem (CID 143626038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).