1-(3-fluorophenyl)-3,5-dimethylcyclohexan-1-ol

C14H19FO — CID 64735546

IUPAC1-(3-fluorophenyl)-3,5-dimethylcyclohexan-1-ol
SMILESCC1CC(C)CC(O)(c2cccc(F)c2)C1
InChIInChI=1S/C14H19FO/c1-10-6-11(2)9-14(16,8-10)12-4-3-5-13(15)7-12/h3-5,7,10-11,16H,6,8-9H2,1-2H3
InChIKeyRWTFYNNQHIEYIB-UHFFFAOYSA-N
MW222.30 g/mol
LogP3.47
Rot. Bonds1

About 1-(3-fluorophenyl)-3,5-dimethylcyclohexan-1-ol

1-(3-fluorophenyl)-3,5-dimethylcyclohexan-1-ol (PubChem CID 64735546) has the molecular formula C14H19FO and a molecular weight of 222.30 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3,5-dimethylcyclohexan-1-ol
PubChem CID64735546
Molecular FormulaC14H19FO
Molecular Weight222.30 g/mol
Exact Mass222.14
IUPAC Name1-(3-fluorophenyl)-3,5-dimethylcyclohexan-1-ol
SMILESCC1CC(C)CC(O)(c2cccc(F)c2)C1
InChIInChI=1S/C14H19FO/c1-10-6-11(2)9-14(16,8-10)12-4-3-5-13(15)7-12/h3-5,7,10-11,16H,6,8-9H2,1-2H3
InChIKeyRWTFYNNQHIEYIB-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3,5-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(3-fluorophenyl)-3,5-dimethylcyclohexan-1-ol (CID 64735546) is 1-(3-fluorophenyl)-3,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(3-fluorophenyl)-3,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(3-fluorophenyl)-3,5-dimethylcyclohexan-1-ol is CC1CC(C)CC(O)(c2cccc(F)c2)C1.
What is the InChIKey of 1-(3-fluorophenyl)-3,5-dimethylcyclohexan-1-ol?
The InChIKey is RWTFYNNQHIEYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO/c1-10-6-11(2)9-14(16,8-10)12-4-3-5-13(15)7-12/h3-5,7,10-11,16H,6,8-9H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-3,5-dimethylcyclohexan-1-ol?
1-(3-fluorophenyl)-3,5-dimethylcyclohexan-1-ol has a molecular weight of 222.30 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 64735546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).