1-(3-fluoro-4-methylphenyl)-2,3-dimethylcyclohexan-1-ol

C15H21FO — CID 107128067

IUPAC1-(3-fluoro-4-methylphenyl)-2,3-dimethylcyclohexan-1-ol
SMILESCc1ccc(C2(O)CCCC(C)C2C)cc1F
InChIInChI=1S/C15H21FO/c1-10-5-4-8-15(17,12(10)3)13-7-6-11(2)14(16)9-13/h6-7,9-10,12,17H,4-5,8H2,1-3H3
InChIKeyVLFPCSCBKKZVCE-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.78
Rot. Bonds1

About 1-(3-fluoro-4-methylphenyl)-2,3-dimethylcyclohexan-1-ol

1-(3-fluoro-4-methylphenyl)-2,3-dimethylcyclohexan-1-ol (PubChem CID 107128067) has the molecular formula C15H21FO and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-2,3-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-2,3-dimethylcyclohexan-1-ol
PubChem CID107128067
Molecular FormulaC15H21FO
Molecular Weight236.33 g/mol
Exact Mass236.16
IUPAC Name1-(3-fluoro-4-methylphenyl)-2,3-dimethylcyclohexan-1-ol
SMILESCc1ccc(C2(O)CCCC(C)C2C)cc1F
InChIInChI=1S/C15H21FO/c1-10-5-4-8-15(17,12(10)3)13-7-6-11(2)14(16)9-13/h6-7,9-10,12,17H,4-5,8H2,1-3H3
InChIKeyVLFPCSCBKKZVCE-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

2,3-dimethyl-1-(2-methylquinolin-6-yl)cyclohexan-1-ol
CID 81216138
2,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 64754384
4-ethyl-1-(3-fluoro-4-methylphenyl)cycloheptan-1-ol
CID 107128079
1-(3,4-diethoxyphenyl)-2,3-dimethylcyclohexan-1-ol
CID 64756632
1-(3-fluoro-4-methylphenyl)-3-methylcyclohexan-1-amine
CID 107128227
2-fluoro-4-(1-fluorocyclopentyl)-1-methylbenzene
CID 161365130
2-fluoro-4-(1-methoxycyclopentyl)-1-methylbenzene
CID 161365131
1-(3-fluoro-4-methylphenyl)cyclobutan-1-amine
CID 117278095
3-(4-fluoro-3-methylphenyl)-2-methylthian-3-ol
CID 79952551
3-(3-fluoro-4-methylphenyl)-3-methylcyclopentan-1-ol
CID 107129482
1-(5-fluoro-2-methylphenyl)-2-methylcyclopentan-1-ol
CID 65049665
1-(2,6-difluoro-3-methylphenyl)-2,3-dimethylcyclohexan-1-amine
CID 82820099

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-2,3-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-2,3-dimethylcyclohexan-1-ol (CID 107128067) is 1-(3-fluoro-4-methylphenyl)-2,3-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-2,3-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-2,3-dimethylcyclohexan-1-ol is Cc1ccc(C2(O)CCCC(C)C2C)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-2,3-dimethylcyclohexan-1-ol?
The InChIKey is VLFPCSCBKKZVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO/c1-10-5-4-8-15(17,12(10)3)13-7-6-11(2)14(16)9-13/h6-7,9-10,12,17H,4-5,8H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-2,3-dimethylcyclohexan-1-ol?
1-(3-fluoro-4-methylphenyl)-2,3-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-(3-fluoro-4-methylphenyl)-2,3-dimethylcyclohexan-1-ol is sourced from PubChem (CID 107128067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).