[(1S)-2-(3-chloro-4-fluorophenyl)cyclohex-2-en-1-yl]methanol

C13H14ClFO — CID 145406547

IUPAC[(1S)-2-(3-chloro-4-fluorophenyl)cyclohex-2-en-1-yl]methanol
SMILESOC[C@H]1CCCC=C1c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H14ClFO/c14-12-7-9(5-6-13(12)15)11-4-2-1-3-10(11)8-16/h4-7,10,16H,1-3,8H2/t10-/m1/s1
InChIKeyYTKFZRVELOXDOP-SNVBAGLBSA-N
MW240.70 g/mol
LogP3.65
Rot. Bonds2

About [(1S)-2-(3-chloro-4-fluorophenyl)cyclohex-2-en-1-yl]methanol

[(1S)-2-(3-chloro-4-fluorophenyl)cyclohex-2-en-1-yl]methanol (PubChem CID 145406547) has the molecular formula C13H14ClFO and a molecular weight of 240.70 g/mol. Its IUPAC name is [(1S)-2-(3-chloro-4-fluorophenyl)cyclohex-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1S)-2-(3-chloro-4-fluorophenyl)cyclohex-2-en-1-yl]methanol
PubChem CID145406547
Molecular FormulaC13H14ClFO
Molecular Weight240.70 g/mol
Exact Mass240.07
IUPAC Name[(1S)-2-(3-chloro-4-fluorophenyl)cyclohex-2-en-1-yl]methanol
SMILESOC[C@H]1CCCC=C1c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H14ClFO/c14-12-7-9(5-6-13(12)15)11-4-2-1-3-10(11)8-16/h4-7,10,16H,1-3,8H2/t10-/m1/s1
InChIKeyYTKFZRVELOXDOP-SNVBAGLBSA-N
XLogP3.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.70
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S)-2-(4-chloro-3-fluorophenyl)cyclohex-2-en-1-yl]methanamine
CID 145406270
[4-(3-chloro-4-fluorophenyl)-2,6-dimethylphenyl]methanol
CID 172876857
1-[(3-chloro-4-fluorophenyl)methyl]cyclobutan-1-ol
CID 103039079
2-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)ethanol
CID 81165963
3-(3-chloro-4-fluorophenyl)-5-cyclobutyl-1,2,4-oxadiazole
CID 165487010
[(2R)-1-[(3-chloro-4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methanol
CID 109478282
3-chloro-4-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836042
5-chloro-2-fluoro-4-[[2-(4-fluorophenyl)cyclohex-2-en-1-yl]methylamino]-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 145406591
[2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]methanol
CID 63086692
1-(3-chloro-4-fluorophenyl)-3,5-difluorobenzene
CID 142366576
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine;hydrochloride
CID 17333117
1-[(3-chloro-4-fluorophenyl)methyl]-2-ethylcyclopentan-1-ol
CID 103039179

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(3-chloro-4-fluorophenyl)cyclohex-2-en-1-yl]methanol?
The IUPAC name of [(1S)-2-(3-chloro-4-fluorophenyl)cyclohex-2-en-1-yl]methanol (CID 145406547) is [(1S)-2-(3-chloro-4-fluorophenyl)cyclohex-2-en-1-yl]methanol.
What is the SMILES notation for [(1S)-2-(3-chloro-4-fluorophenyl)cyclohex-2-en-1-yl]methanol?
The canonical SMILES for [(1S)-2-(3-chloro-4-fluorophenyl)cyclohex-2-en-1-yl]methanol is OC[C@H]1CCCC=C1c1ccc(F)c(Cl)c1.
What is the InChIKey of [(1S)-2-(3-chloro-4-fluorophenyl)cyclohex-2-en-1-yl]methanol?
The InChIKey is YTKFZRVELOXDOP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14ClFO/c14-12-7-9(5-6-13(12)15)11-4-2-1-3-10(11)8-16/h4-7,10,16H,1-3,8H2/t10-/m1/s1.
What are the key properties of [(1S)-2-(3-chloro-4-fluorophenyl)cyclohex-2-en-1-yl]methanol?
[(1S)-2-(3-chloro-4-fluorophenyl)cyclohex-2-en-1-yl]methanol has a molecular weight of 240.70 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(3-chloro-4-fluorophenyl)cyclohex-2-en-1-yl]methanol is sourced from PubChem (CID 145406547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).