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

C16H20ClFO — CID 112653080

IUPAC1-[(2-chloro-3-fluorophenyl)methyl]-3-cyclopropylcyclohexan-1-ol
SMILESOC1(Cc2cccc(F)c2Cl)CCCC(C2CC2)C1
InChIInChI=1S/C16H20ClFO/c17-15-13(3-1-5-14(15)18)10-16(19)8-2-4-12(9-16)11-6-7-11/h1,3,5,11-12,19H,2,4,6-10H2
InChIKeyRHXYAGGENXUMIU-UHFFFAOYSA-N
MW282.79 g/mol
LogP4.35
Rot. Bonds3

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

1-[(2-chloro-3-fluorophenyl)methyl]-3-cyclopropylcyclohexan-1-ol (PubChem CID 112653080) has the molecular formula C16H20ClFO and a molecular weight of 282.79 g/mol. Its IUPAC name is 1-[(2-chloro-3-fluorophenyl)methyl]-3-cyclopropylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-chloro-3-fluorophenyl)methyl]-3-cyclopropylcyclohexan-1-ol
PubChem CID112653080
Molecular FormulaC16H20ClFO
Molecular Weight282.79 g/mol
Exact Mass282.12
IUPAC Name1-[(2-chloro-3-fluorophenyl)methyl]-3-cyclopropylcyclohexan-1-ol
SMILESOC1(Cc2cccc(F)c2Cl)CCCC(C2CC2)C1
InChIInChI=1S/C16H20ClFO/c17-15-13(3-1-5-14(15)18)10-16(19)8-2-4-12(9-16)11-6-7-11/h1,3,5,11-12,19H,2,4,6-10H2
InChIKeyRHXYAGGENXUMIU-UHFFFAOYSA-N
XLogP4.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.79
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429837
1-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 112653078
3-cyclopropyl-1-(naphthalen-1-ylmethyl)cyclohexan-1-ol
CID 65154003
7-[(2-chloro-3-fluorophenyl)methyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
CID 112653152
3-amino-1-[(2-chloro-3-fluorophenyl)methyl]cyclobutan-1-ol
CID 112653138
1-[(2-chloro-3-fluorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 115983401
3-[(2-chloro-3-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol
CID 112652969
3-amino-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol
CID 67983841
1-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclohexan-1-ol
CID 112652934
1-[(2,3-dichlorophenyl)methyl]-3-ethylcyclohexan-1-ol
CID 107307502
3-[(2-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine
CID 112655178
3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 65154268

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-fluorophenyl)methyl]-3-cyclopropylcyclohexan-1-ol?
The IUPAC name of 1-[(2-chloro-3-fluorophenyl)methyl]-3-cyclopropylcyclohexan-1-ol (CID 112653080) is 1-[(2-chloro-3-fluorophenyl)methyl]-3-cyclopropylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2-chloro-3-fluorophenyl)methyl]-3-cyclopropylcyclohexan-1-ol?
The canonical SMILES for 1-[(2-chloro-3-fluorophenyl)methyl]-3-cyclopropylcyclohexan-1-ol is OC1(Cc2cccc(F)c2Cl)CCCC(C2CC2)C1.
What is the InChIKey of 1-[(2-chloro-3-fluorophenyl)methyl]-3-cyclopropylcyclohexan-1-ol?
The InChIKey is RHXYAGGENXUMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFO/c17-15-13(3-1-5-14(15)18)10-16(19)8-2-4-12(9-16)11-6-7-11/h1,3,5,11-12,19H,2,4,6-10H2.
What are the key properties of 1-[(2-chloro-3-fluorophenyl)methyl]-3-cyclopropylcyclohexan-1-ol?
1-[(2-chloro-3-fluorophenyl)methyl]-3-cyclopropylcyclohexan-1-ol has a molecular weight of 282.79 g/mol, XLogP of 4.35, 3 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]-3-cyclopropylcyclohexan-1-ol is sourced from PubChem (CID 112653080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).