1-(3-fluorophenyl)-2,4-dimethylcyclohexan-1-ol

C14H19FO — CID 64756021

IUPAC1-(3-fluorophenyl)-2,4-dimethylcyclohexan-1-ol
SMILESCC1CCC(O)(c2cccc(F)c2)C(C)C1
InChIInChI=1S/C14H19FO/c1-10-6-7-14(16,11(2)8-10)12-4-3-5-13(15)9-12/h3-5,9-11,16H,6-8H2,1-2H3
InChIKeyYDIWPOAHFQAZJP-UHFFFAOYSA-N
MW222.30 g/mol
LogP3.47
Rot. Bonds1

About 1-(3-fluorophenyl)-2,4-dimethylcyclohexan-1-ol

1-(3-fluorophenyl)-2,4-dimethylcyclohexan-1-ol (PubChem CID 64756021) has the molecular formula C14H19FO and a molecular weight of 222.30 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2,4-dimethylcyclohexan-1-ol
PubChem CID64756021
Molecular FormulaC14H19FO
Molecular Weight222.30 g/mol
Exact Mass222.14
IUPAC Name1-(3-fluorophenyl)-2,4-dimethylcyclohexan-1-ol
SMILESCC1CCC(O)(c2cccc(F)c2)C(C)C1
InChIInChI=1S/C14H19FO/c1-10-6-7-14(16,11(2)8-10)12-4-3-5-13(15)9-12/h3-5,9-11,16H,6-8H2,1-2H3
InChIKeyYDIWPOAHFQAZJP-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Bay 27-9955
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alpha-Ethyl-alpha-phenyl-3-(trifluoromethyl)benzenemethanol
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Benzenemethanol, (1-((1,1-dimethylethyl)dioxy)-1-methylethyl)-alpha,alpha-dimethyl-
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alpha,alpha-Dimethyl[1,1'-biphenyl]-4-methanol
CID 118654
2-Phenylbutan-2-ol
CID 15283
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CID 44095
Cyclohexyl-diphenyl-methanol
CID 275162

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(3-fluorophenyl)-2,4-dimethylcyclohexan-1-ol (CID 64756021) is 1-(3-fluorophenyl)-2,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(3-fluorophenyl)-2,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(3-fluorophenyl)-2,4-dimethylcyclohexan-1-ol is CC1CCC(O)(c2cccc(F)c2)C(C)C1.
What is the InChIKey of 1-(3-fluorophenyl)-2,4-dimethylcyclohexan-1-ol?
The InChIKey is YDIWPOAHFQAZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO/c1-10-6-7-14(16,11(2)8-10)12-4-3-5-13(15)9-12/h3-5,9-11,16H,6-8H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-2,4-dimethylcyclohexan-1-ol?
1-(3-fluorophenyl)-2,4-dimethylcyclohexan-1-ol has a molecular weight of 222.30 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 64756021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).