1-(2-fluoro-4,6-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol

C17H25FO — CID 106880494

IUPAC1-(2-fluoro-4,6-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol
SMILESCc1cc(C)c(C2(O)CCC(C)(C)CC2C)c(F)c1
InChIInChI=1S/C17H25FO/c1-11-8-12(2)15(14(18)9-11)17(19)7-6-16(4,5)10-13(17)3/h8-9,13,19H,6-7,10H2,1-5H3
InChIKeyOPOUFWLQTLTUOT-UHFFFAOYSA-N
MW264.38 g/mol
LogP4.48
Rot. Bonds1

About 1-(2-fluoro-4,6-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol

1-(2-fluoro-4,6-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol (PubChem CID 106880494) has the molecular formula C17H25FO and a molecular weight of 264.38 g/mol. Its IUPAC name is 1-(2-fluoro-4,6-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-fluoro-4,6-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol
PubChem CID106880494
Molecular FormulaC17H25FO
Molecular Weight264.38 g/mol
Exact Mass264.19
IUPAC Name1-(2-fluoro-4,6-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol
SMILESCc1cc(C)c(C2(O)CCC(C)(C)CC2C)c(F)c1
InChIInChI=1S/C17H25FO/c1-11-8-12(2)15(14(18)9-11)17(19)7-6-16(4,5)10-13(17)3/h8-9,13,19H,6-7,10H2,1-5H3
InChIKeyOPOUFWLQTLTUOT-UHFFFAOYSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol
CID 81314579
3-(2-fluoro-4,6-dimethylphenyl)-2-methyloxolan-3-ol
CID 106880528
1-(3-bromo-2,6-difluorophenyl)-2,4,4-trimethylcyclohexan-1-ol
CID 106941425
3-(2-fluoro-4,6-dimethylphenyl)-5-methylthiolan-3-ol
CID 106880467
1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylcyclohexan-1-ol
CID 106880524
1-(2-fluoro-4,6-dimethylphenyl)cyclopropan-1-amine
CID 84767931
2,4,4-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
CID 114724391
1-(4-fluoro-3-methylphenyl)-2,4,4-trimethylcyclopentan-1-ol
CID 106663637
2,4,4-trimethyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol
CID 106663682
3-(2-fluoro-4,6-dimethylphenyl)thiolan-3-ol
CID 106880466
1-(2-fluoro-4,6-dimethylphenyl)-3-methylcyclohexan-1-amine
CID 106880613
1-(2,3-difluorophenyl)-2-methylcyclopropan-1-ol
CID 79332533

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol?
The IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol (CID 106880494) is 1-(2-fluoro-4,6-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(2-fluoro-4,6-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol?
The canonical SMILES for 1-(2-fluoro-4,6-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol is Cc1cc(C)c(C2(O)CCC(C)(C)CC2C)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4,6-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol?
The InChIKey is OPOUFWLQTLTUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FO/c1-11-8-12(2)15(14(18)9-11)17(19)7-6-16(4,5)10-13(17)3/h8-9,13,19H,6-7,10H2,1-5H3.
What are the key properties of 1-(2-fluoro-4,6-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol?
1-(2-fluoro-4,6-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol has a molecular weight of 264.38 g/mol, XLogP of 4.48, 1 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)-2,4,4-trimethylcyclohexan-1-ol is sourced from PubChem (CID 106880494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).