2-(3,4-dimethylcyclohexyl)-1-(4-fluorophenyl)propan-2-ol

C17H25FO — CID 114833051

IUPAC2-(3,4-dimethylcyclohexyl)-1-(4-fluorophenyl)propan-2-ol
SMILESCC1CCC(C(C)(O)Cc2ccc(F)cc2)CC1C
InChIInChI=1S/C17H25FO/c1-12-4-7-15(10-13(12)2)17(3,19)11-14-5-8-16(18)9-6-14/h5-6,8-9,12-13,15,19H,4,7,10-11H2,1-3H3
InChIKeyFWAOOOCMLNTIQR-UHFFFAOYSA-N
MW264.38 g/mol
LogP4.19
Rot. Bonds3

About 2-(3,4-dimethylcyclohexyl)-1-(4-fluorophenyl)propan-2-ol

2-(3,4-dimethylcyclohexyl)-1-(4-fluorophenyl)propan-2-ol (PubChem CID 114833051) has the molecular formula C17H25FO and a molecular weight of 264.38 g/mol. Its IUPAC name is 2-(3,4-dimethylcyclohexyl)-1-(4-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name2-(3,4-dimethylcyclohexyl)-1-(4-fluorophenyl)propan-2-ol
PubChem CID114833051
Molecular FormulaC17H25FO
Molecular Weight264.38 g/mol
Exact Mass264.19
IUPAC Name2-(3,4-dimethylcyclohexyl)-1-(4-fluorophenyl)propan-2-ol
SMILESCC1CCC(C(C)(O)Cc2ccc(F)cc2)CC1C
InChIInChI=1S/C17H25FO/c1-12-4-7-15(10-13(12)2)17(3,19)11-14-5-8-16(18)9-6-14/h5-6,8-9,12-13,15,19H,4,7,10-11H2,1-3H3
InChIKeyFWAOOOCMLNTIQR-UHFFFAOYSA-N
XLogP4.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Bay 27-9955
CID 5311277
Benzeneethanol, alpha,alpha,4-trimethyl-
CID 88710
1-Benzylcyclohexan-1-ol
CID 74753
3-Benzyl-3-pentanol
CID 118704
2,3-Dimethyl-2-hydroxy-3-phenylpropane
CID 18663
alpha-Ethyl-alpha-methylbenzeneethanol
CID 101135
1-(4-Fluorophenyl)cyclohexanol
CID 261544
1-(3-Fluorophenyl)cyclohexan-1-ol
CID 2802229
1-(4-Fluorophenyl)-2-methyl-2-propanol
CID 520425
4-Tert-butyl-1-phenylcyclohexanol
CID 357428
alpha,alpha-Diisopropylphenethyl alcohol
CID 104069
Occidol
CID 11020369

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylcyclohexyl)-1-(4-fluorophenyl)propan-2-ol?
The IUPAC name of 2-(3,4-dimethylcyclohexyl)-1-(4-fluorophenyl)propan-2-ol (CID 114833051) is 2-(3,4-dimethylcyclohexyl)-1-(4-fluorophenyl)propan-2-ol.
What is the SMILES notation for 2-(3,4-dimethylcyclohexyl)-1-(4-fluorophenyl)propan-2-ol?
The canonical SMILES for 2-(3,4-dimethylcyclohexyl)-1-(4-fluorophenyl)propan-2-ol is CC1CCC(C(C)(O)Cc2ccc(F)cc2)CC1C.
What is the InChIKey of 2-(3,4-dimethylcyclohexyl)-1-(4-fluorophenyl)propan-2-ol?
The InChIKey is FWAOOOCMLNTIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FO/c1-12-4-7-15(10-13(12)2)17(3,19)11-14-5-8-16(18)9-6-14/h5-6,8-9,12-13,15,19H,4,7,10-11H2,1-3H3.
What are the key properties of 2-(3,4-dimethylcyclohexyl)-1-(4-fluorophenyl)propan-2-ol?
2-(3,4-dimethylcyclohexyl)-1-(4-fluorophenyl)propan-2-ol has a molecular weight of 264.38 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylcyclohexyl)-1-(4-fluorophenyl)propan-2-ol is sourced from PubChem (CID 114833051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).