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

C13H14ClFO — CID 107883733

IUPAC1-[(4-chloro-3-fluorophenyl)methyl]cyclohex-2-en-1-ol
SMILESOC1(Cc2ccc(Cl)c(F)c2)C=CCCC1
InChIInChI=1S/C13H14ClFO/c14-11-5-4-10(8-12(11)15)9-13(16)6-2-1-3-7-13/h2,4-6,8,16H,1,3,7,9H2
InChIKeyCQQZVGNZUKJDHO-UHFFFAOYSA-N
MW240.71 g/mol
LogP3.49
Rot. Bonds2

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

1-[(4-chloro-3-fluorophenyl)methyl]cyclohex-2-en-1-ol (PubChem CID 107883733) has the molecular formula C13H14ClFO and a molecular weight of 240.71 g/mol. Its IUPAC name is 1-[(4-chloro-3-fluorophenyl)methyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-[(4-chloro-3-fluorophenyl)methyl]cyclohex-2-en-1-ol
PubChem CID107883733
Molecular FormulaC13H14ClFO
Molecular Weight240.71 g/mol
Exact Mass240.07
IUPAC Name1-[(4-chloro-3-fluorophenyl)methyl]cyclohex-2-en-1-ol
SMILESOC1(Cc2ccc(Cl)c(F)c2)C=CCCC1
InChIInChI=1S/C13H14ClFO/c14-11-5-4-10(8-12(11)15)9-13(16)6-2-1-3-7-13/h2,4-6,8,16H,1,3,7,9H2
InChIKeyCQQZVGNZUKJDHO-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'}

Analyze 1-[(4-chloro-3-fluorophenyl)methyl]cyclohex-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-chloro-5-fluorophenyl)methyl]cyclohex-2-en-1-ol
CID 102617456
1-[(4-chloro-2-fluorophenyl)methyl]cyclohex-2-en-1-ol
CID 114852720
1-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-ol
CID 107883416
1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol
CID 107883405
1-[(5-chlorothiophen-3-yl)methyl]cyclohex-2-en-1-ol
CID 130679593
[1-[(4-chloro-3-fluorophenyl)methyl]cyclopentyl]methanol
CID 107894887
1-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 107883637
[1-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methanol
CID 114013678
1-[(4-chloro-3-fluorophenyl)methyl]cycloheptane-1-carboxylic acid
CID 107889012
3-[(4-chloro-3-fluorophenyl)methyl]oxolan-3-ol
CID 107883464
3-[(4-chloro-3-fluorophenyl)methyl]-4,4-dimethylthian-3-ol
CID 114012564
[2-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 107895007

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]cyclohex-2-en-1-ol?
The IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]cyclohex-2-en-1-ol (CID 107883733) is 1-[(4-chloro-3-fluorophenyl)methyl]cyclohex-2-en-1-ol.
What is the SMILES notation for 1-[(4-chloro-3-fluorophenyl)methyl]cyclohex-2-en-1-ol?
The canonical SMILES for 1-[(4-chloro-3-fluorophenyl)methyl]cyclohex-2-en-1-ol is OC1(Cc2ccc(Cl)c(F)c2)C=CCCC1.
What is the InChIKey of 1-[(4-chloro-3-fluorophenyl)methyl]cyclohex-2-en-1-ol?
The InChIKey is CQQZVGNZUKJDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFO/c14-11-5-4-10(8-12(11)15)9-13(16)6-2-1-3-7-13/h2,4-6,8,16H,1,3,7,9H2.
What are the key properties of 1-[(4-chloro-3-fluorophenyl)methyl]cyclohex-2-en-1-ol?
1-[(4-chloro-3-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 1-[(4-chloro-3-fluorophenyl)methyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 107883733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).