1-(2-chloro-5-fluorophenyl)-2-phenylcyclohexan-1-ol

C18H18ClFO — CID 105393716

IUPAC1-(2-chloro-5-fluorophenyl)-2-phenylcyclohexan-1-ol
SMILESOC1(c2cc(F)ccc2Cl)CCCCC1c1ccccc1
InChIInChI=1S/C18H18ClFO/c19-17-10-9-14(20)12-16(17)18(21)11-5-4-8-15(18)13-6-2-1-3-7-13/h1-3,6-7,9-10,12,15,21H,4-5,8,11H2
InChIKeyJSLGGNGDMQAHSJ-UHFFFAOYSA-N
MW304.79 g/mol
LogP5.02
Rot. Bonds2

About 1-(2-chloro-5-fluorophenyl)-2-phenylcyclohexan-1-ol

1-(2-chloro-5-fluorophenyl)-2-phenylcyclohexan-1-ol (PubChem CID 105393716) has the molecular formula C18H18ClFO and a molecular weight of 304.79 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-2-phenylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-2-phenylcyclohexan-1-ol
PubChem CID105393716
Molecular FormulaC18H18ClFO
Molecular Weight304.79 g/mol
Exact Mass304.10
IUPAC Name1-(2-chloro-5-fluorophenyl)-2-phenylcyclohexan-1-ol
SMILESOC1(c2cc(F)ccc2Cl)CCCCC1c1ccccc1
InChIInChI=1S/C18H18ClFO/c19-17-10-9-14(20)12-16(17)18(21)11-5-4-8-15(18)13-6-2-1-3-7-13/h1-3,6-7,9-10,12,15,21H,4-5,8,11H2
InChIKeyJSLGGNGDMQAHSJ-UHFFFAOYSA-N
XLogP5.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.79
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoro-5-methylphenyl)-2-phenylcyclohexan-1-ol
CID 79691792
1-(2,5-dimethylphenyl)-2-phenylcyclohexan-1-ol
CID 63407170
1-(2-chloro-5-fluorophenyl)cyclopentane-1-carboxylic acid
CID 82622172
1-(4-chloro-1-methylpyrazol-5-yl)-2-phenylcyclohexan-1-ol
CID 114633240
1-(2-chloro-5-fluorophenyl)-4-methylcyclohexan-1-amine
CID 105394080
1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 105393720
3-(2-chloro-5-fluorophenyl)piperidin-3-ol
CID 112703723
1-[(2-chlorophenyl)methyl]-2-phenylcyclohexan-1-ol
CID 60798196
(1S,8R)-tricyclo[6.5.0.02,7]trideca-2,4,6-trien-1-ol
CID 7055569
1-(2-ethylpyrazol-3-yl)-2-phenylcyclohexan-1-ol
CID 63974813
1-hydroxy-2-phenylcyclohexane-1-sulfonic acid
CID 103574511
trans-(1R,2S)-1-amino-2-phenylcycloheptane-1-carboxylic acid
CID 34176616

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-phenylcyclohexan-1-ol?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-phenylcyclohexan-1-ol (CID 105393716) is 1-(2-chloro-5-fluorophenyl)-2-phenylcyclohexan-1-ol.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-2-phenylcyclohexan-1-ol?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-2-phenylcyclohexan-1-ol is OC1(c2cc(F)ccc2Cl)CCCCC1c1ccccc1.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-2-phenylcyclohexan-1-ol?
The InChIKey is JSLGGNGDMQAHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFO/c19-17-10-9-14(20)12-16(17)18(21)11-5-4-8-15(18)13-6-2-1-3-7-13/h1-3,6-7,9-10,12,15,21H,4-5,8,11H2.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-2-phenylcyclohexan-1-ol?
1-(2-chloro-5-fluorophenyl)-2-phenylcyclohexan-1-ol has a molecular weight of 304.79 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-2-phenylcyclohexan-1-ol is sourced from PubChem (CID 105393716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).