3-[(2-chloro-6-fluorophenyl)methyl]cyclohex-2-en-1-ol

C13H14ClFO — CID 65176934

IUPAC3-[(2-chloro-6-fluorophenyl)methyl]cyclohex-2-en-1-ol
SMILESOC1C=C(Cc2c(F)cccc2Cl)CCC1
InChIInChI=1S/C13H14ClFO/c14-12-5-2-6-13(15)11(12)8-9-3-1-4-10(16)7-9/h2,5-7,10,16H,1,3-4,8H2
InChIKeyDVMCRFLMIXDCPP-UHFFFAOYSA-N
MW240.71 g/mol
LogP3.49
Rot. Bonds2

About 3-[(2-chloro-6-fluorophenyl)methyl]cyclohex-2-en-1-ol

3-[(2-chloro-6-fluorophenyl)methyl]cyclohex-2-en-1-ol (PubChem CID 65176934) has the molecular formula C13H14ClFO and a molecular weight of 240.71 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methyl]cyclohex-2-en-1-ol
PubChem CID65176934
Molecular FormulaC13H14ClFO
Molecular Weight240.71 g/mol
Exact Mass240.07
IUPAC Name3-[(2-chloro-6-fluorophenyl)methyl]cyclohex-2-en-1-ol
SMILESOC1C=C(Cc2c(F)cccc2Cl)CCC1
InChIInChI=1S/C13H14ClFO/c14-12-5-2-6-13(15)11(12)8-9-3-1-4-10(16)7-9/h2,5-7,10,16H,1,3-4,8H2
InChIKeyDVMCRFLMIXDCPP-UHFFFAOYSA-N
XLogP3.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.71
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64976553
3-[(5-chlorothiophen-2-yl)methyl]cyclohex-2-en-1-ol
CID 65176939
1,3-dichloro-2-[(3-chlorocyclopenten-1-yl)methyl]benzene
CID 65174071
6-[(2-chloro-6-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 63459606
3-[(2-methylphenyl)methyl]cyclohex-2-en-1-ol
CID 65172216
2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-5-amine
CID 63023527
2-(2-chloro-6-fluorophenyl)-N-cyclohexylacetamide
CID 974091
3-[(2,6-dichlorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol
CID 65174607
3-[(2-chloro-6-fluorophenyl)methyl]cyclopentan-1-ol
CID 64513208
1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-ol
CID 24905047
N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclohexylmethanamine
CID 43215545
N-(4-chlorocyclohexyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 114297195

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]cyclohex-2-en-1-ol?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]cyclohex-2-en-1-ol (CID 65176934) is 3-[(2-chloro-6-fluorophenyl)methyl]cyclohex-2-en-1-ol.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methyl]cyclohex-2-en-1-ol?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methyl]cyclohex-2-en-1-ol is OC1C=C(Cc2c(F)cccc2Cl)CCC1.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methyl]cyclohex-2-en-1-ol?
The InChIKey is DVMCRFLMIXDCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFO/c14-12-5-2-6-13(15)11(12)8-9-3-1-4-10(16)7-9/h2,5-7,10,16H,1,3-4,8H2.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methyl]cyclohex-2-en-1-ol?
3-[(2-chloro-6-fluorophenyl)methyl]cyclohex-2-en-1-ol has a molecular weight of 240.71 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 65176934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).