1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylcyclohexan-1-ol

C17H25FO — CID 106880524

IUPAC1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylcyclohexan-1-ol
SMILESCc1cc(C)c(C2(O)CCCCC2C(C)C)c(F)c1
InChIInChI=1S/C17H25FO/c1-11(2)14-7-5-6-8-17(14,19)16-13(4)9-12(3)10-15(16)18/h9-11,14,19H,5-8H2,1-4H3
InChIKeyOZJROIHJYACLMG-UHFFFAOYSA-N
MW264.38 g/mol
LogP4.48
Rot. Bonds2

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

1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylcyclohexan-1-ol (PubChem CID 106880524) 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-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylcyclohexan-1-ol
PubChem CID106880524
Molecular FormulaC17H25FO
Molecular Weight264.38 g/mol
Exact Mass264.19
IUPAC Name1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylcyclohexan-1-ol
SMILESCc1cc(C)c(C2(O)CCCCC2C(C)C)c(F)c1
InChIInChI=1S/C17H25FO/c1-11(2)14-7-5-6-8-17(14,19)16-13(4)9-12(3)10-15(16)18/h9-11,14,19H,5-8H2,1-4H3
InChIKeyOZJROIHJYACLMG-UHFFFAOYSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylcyclohexan-1-ol (CID 106880524) is 1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylcyclohexan-1-ol is Cc1cc(C)c(C2(O)CCCCC2C(C)C)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is OZJROIHJYACLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FO/c1-11(2)14-7-5-6-8-17(14,19)16-13(4)9-12(3)10-15(16)18/h9-11,14,19H,5-8H2,1-4H3.
What are the key properties of 1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylcyclohexan-1-ol?
1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 264.38 g/mol, XLogP of 4.48, 2 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-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 106880524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).