1-(5-fluoro-2-methylphenyl)-2,4-dimethylcyclohexan-1-ol

C15H21FO — CID 64755411

IUPAC1-(5-fluoro-2-methylphenyl)-2,4-dimethylcyclohexan-1-ol
SMILESCc1ccc(F)cc1C1(O)CCC(C)CC1C
InChIInChI=1S/C15H21FO/c1-10-6-7-15(17,12(3)8-10)14-9-13(16)5-4-11(14)2/h4-5,9-10,12,17H,6-8H2,1-3H3
InChIKeyJDBHVZJZDRMDIZ-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.78
Rot. Bonds1

About 1-(5-fluoro-2-methylphenyl)-2,4-dimethylcyclohexan-1-ol

1-(5-fluoro-2-methylphenyl)-2,4-dimethylcyclohexan-1-ol (PubChem CID 64755411) has the molecular formula C15H21FO and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-2,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-2,4-dimethylcyclohexan-1-ol
PubChem CID64755411
Molecular FormulaC15H21FO
Molecular Weight236.33 g/mol
Exact Mass236.16
IUPAC Name1-(5-fluoro-2-methylphenyl)-2,4-dimethylcyclohexan-1-ol
SMILESCc1ccc(F)cc1C1(O)CCC(C)CC1C
InChIInChI=1S/C15H21FO/c1-10-6-7-15(17,12(3)8-10)14-9-13(16)5-4-11(14)2/h4-5,9-10,12,17H,6-8H2,1-3H3
InChIKeyJDBHVZJZDRMDIZ-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-fluoro-2-methylphenyl)-2-methylcyclopentan-1-ol
CID 65049665
1-(3-fluorophenyl)-2,4-dimethylcyclohexan-1-ol
CID 64756021
1-(4-fluoro-2-methylphenyl)-2,4-dimethylcyclohexan-1-amine
CID 64776596
1-(5-fluoro-2-methylphenyl)-3-methylcyclohexan-1-ol
CID 62788300
1-(5-fluoro-2-methylphenyl)-3-methylcyclopentan-1-amine
CID 64515524
1-(3-fluoro-4-pyridinyl)-2,4-dimethylcyclohexan-1-ol
CID 104737601
1-(2,5-dichlorophenyl)-2,4-dimethylcyclohexan-1-ol
CID 64756639
1-cyclopropyl-3-(5-fluoro-2-methylphenyl)pyrrolidin-3-ol
CID 62975984
(1S,2R,4R)-2,4-dimethyl-1-phenylcyclohexan-1-ol
CID 124508976
3-amino-1-(5-fluoro-2-methylphenyl)cyclohexan-1-ol
CID 80561274
ethyl 3-[4-(5-fluoro-2-methylphenyl)-4-hydroxypiperidin-1-yl]-9-azabicyclo[4.2.1]nonane-9-carboxylate
CID 58772205
1-(3,4-dimethoxyphenyl)-2,4-dimethylcyclohexan-1-ol
CID 64756637

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-2,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-2,4-dimethylcyclohexan-1-ol (CID 64755411) is 1-(5-fluoro-2-methylphenyl)-2,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-2,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-2,4-dimethylcyclohexan-1-ol is Cc1ccc(F)cc1C1(O)CCC(C)CC1C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-2,4-dimethylcyclohexan-1-ol?
The InChIKey is JDBHVZJZDRMDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO/c1-10-6-7-15(17,12(3)8-10)14-9-13(16)5-4-11(14)2/h4-5,9-10,12,17H,6-8H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-2,4-dimethylcyclohexan-1-ol?
1-(5-fluoro-2-methylphenyl)-2,4-dimethylcyclohexan-1-ol has a molecular weight of 236.33 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-2,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 64755411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).