1-(2-fluoro-4,6-dimethylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol

C18H27FO — CID 107429597

IUPAC1-(2-fluoro-4,6-dimethylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol
SMILESCc1cc(C)c(C2(O)CCCC(CC(C)C)C2)c(F)c1
InChIInChI=1S/C18H27FO/c1-12(2)8-15-6-5-7-18(20,11-15)17-14(4)9-13(3)10-16(17)19/h9-10,12,15,20H,5-8,11H2,1-4H3
InChIKeyZINLKLKAHNQWRK-UHFFFAOYSA-N
MW278.41 g/mol
LogP4.87
Rot. Bonds3

About 1-(2-fluoro-4,6-dimethylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol

1-(2-fluoro-4,6-dimethylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol (PubChem CID 107429597) has the molecular formula C18H27FO and a molecular weight of 278.41 g/mol. Its IUPAC name is 1-(2-fluoro-4,6-dimethylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-fluoro-4,6-dimethylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol
PubChem CID107429597
Molecular FormulaC18H27FO
Molecular Weight278.41 g/mol
Exact Mass278.20
IUPAC Name1-(2-fluoro-4,6-dimethylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol
SMILESCc1cc(C)c(C2(O)CCCC(CC(C)C)C2)c(F)c1
InChIInChI=1S/C18H27FO/c1-12(2)8-15-6-5-7-18(20,11-15)17-14(4)9-13(3)10-16(17)19/h9-10,12,15,20H,5-8,11H2,1-4H3
InChIKeyZINLKLKAHNQWRK-UHFFFAOYSA-N
XLogP4.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol?
The IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol (CID 107429597) is 1-(2-fluoro-4,6-dimethylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2-fluoro-4,6-dimethylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol?
The canonical SMILES for 1-(2-fluoro-4,6-dimethylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol is Cc1cc(C)c(C2(O)CCCC(CC(C)C)C2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4,6-dimethylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol?
The InChIKey is ZINLKLKAHNQWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FO/c1-12(2)8-15-6-5-7-18(20,11-15)17-14(4)9-13(3)10-16(17)19/h9-10,12,15,20H,5-8,11H2,1-4H3.
What are the key properties of 1-(2-fluoro-4,6-dimethylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol?
1-(2-fluoro-4,6-dimethylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol has a molecular weight of 278.41 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4,6-dimethylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol is sourced from PubChem (CID 107429597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).