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

C14H18ClFO — CID 112652934

IUPAC1-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclohexan-1-ol
SMILESCC1CCCCC1(O)Cc1cccc(F)c1Cl
InChIInChI=1S/C14H18ClFO/c1-10-5-2-3-8-14(10,17)9-11-6-4-7-12(16)13(11)15/h4,6-7,10,17H,2-3,5,8-9H2,1H3
InChIKeyYDWJFKULTZUXQG-UHFFFAOYSA-N
MW256.75 g/mol
LogP3.96
Rot. Bonds2

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

1-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclohexan-1-ol (PubChem CID 112652934) has the molecular formula C14H18ClFO and a molecular weight of 256.75 g/mol. Its IUPAC name is 1-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclohexan-1-ol
PubChem CID112652934
Molecular FormulaC14H18ClFO
Molecular Weight256.75 g/mol
Exact Mass256.10
IUPAC Name1-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclohexan-1-ol
SMILESCC1CCCCC1(O)Cc1cccc(F)c1Cl
InChIInChI=1S/C14H18ClFO/c1-10-5-2-3-8-14(10,17)9-11-6-4-7-12(16)13(11)15/h4,6-7,10,17H,2-3,5,8-9H2,1H3
InChIKeyYDWJFKULTZUXQG-UHFFFAOYSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 53.96
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-3-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 112653078
4-[(2-chloro-3-fluorophenyl)methyl]-3-ethylpiperidin-4-ol
CID 114510405
1-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclohexan-1-ol
CID 106866029
1-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclohexan-1-ol
CID 114346704
1-[(2,3-difluorophenyl)methyl]-2-ethylcyclohexan-1-ol
CID 65149328
1-[(2-chloro-3-fluorophenyl)methyl]-3-cyclopropylcyclohexan-1-ol
CID 112653080
1-[(2-chloro-3-fluorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 115983401
[1-[(2-chloro-3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 112654779
1-[(5-bromo-2-fluorophenyl)methyl]-2-methylcyclopentan-1-ol
CID 65154192
1-[(2-methoxyphenyl)methyl]-2-methylcyclopentan-1-ol
CID 65050430
1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429837

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclohexan-1-ol?
The IUPAC name of 1-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclohexan-1-ol (CID 112652934) is 1-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclohexan-1-ol is CC1CCCCC1(O)Cc1cccc(F)c1Cl.
What is the InChIKey of 1-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclohexan-1-ol?
The InChIKey is YDWJFKULTZUXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFO/c1-10-5-2-3-8-14(10,17)9-11-6-4-7-12(16)13(11)15/h4,6-7,10,17H,2-3,5,8-9H2,1H3.
What are the key properties of 1-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclohexan-1-ol?
1-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclohexan-1-ol has a molecular weight of 256.75 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclohexan-1-ol is sourced from PubChem (CID 112652934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).