(2-fluoro-4,6-dimethylphenyl)-(4-methylcyclohexen-1-yl)methanone

C16H19FO — CID 106880978

IUPAC(2-fluoro-4,6-dimethylphenyl)-(4-methylcyclohexen-1-yl)methanone
SMILESCc1cc(C)c(C(=O)C2=CCC(C)CC2)c(F)c1
InChIInChI=1S/C16H19FO/c1-10-4-6-13(7-5-10)16(18)15-12(3)8-11(2)9-14(15)17/h6,8-10H,4-5,7H2,1-3H3
InChIKeyFTECBNYQWVITCY-UHFFFAOYSA-N
MW246.32 g/mol
LogP4.37
Rot. Bonds2

About (2-fluoro-4,6-dimethylphenyl)-(4-methylcyclohexen-1-yl)methanone

(2-fluoro-4,6-dimethylphenyl)-(4-methylcyclohexen-1-yl)methanone (PubChem CID 106880978) has the molecular formula C16H19FO and a molecular weight of 246.32 g/mol. Its IUPAC name is (2-fluoro-4,6-dimethylphenyl)-(4-methylcyclohexen-1-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-4,6-dimethylphenyl)-(4-methylcyclohexen-1-yl)methanone
PubChem CID106880978
Molecular FormulaC16H19FO
Molecular Weight246.32 g/mol
Exact Mass246.14
IUPAC Name(2-fluoro-4,6-dimethylphenyl)-(4-methylcyclohexen-1-yl)methanone
SMILESCc1cc(C)c(C(=O)C2=CCC(C)CC2)c(F)c1
InChIInChI=1S/C16H19FO/c1-10-4-6-13(7-5-10)16(18)15-12(3)8-11(2)9-14(15)17/h6,8-10H,4-5,7H2,1-3H3
InChIKeyFTECBNYQWVITCY-UHFFFAOYSA-N
XLogP4.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(4-methylcyclohexen-1-yl)methanone?
The IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(4-methylcyclohexen-1-yl)methanone (CID 106880978) is (2-fluoro-4,6-dimethylphenyl)-(4-methylcyclohexen-1-yl)methanone.
What is the SMILES notation for (2-fluoro-4,6-dimethylphenyl)-(4-methylcyclohexen-1-yl)methanone?
The canonical SMILES for (2-fluoro-4,6-dimethylphenyl)-(4-methylcyclohexen-1-yl)methanone is Cc1cc(C)c(C(=O)C2=CCC(C)CC2)c(F)c1.
What is the InChIKey of (2-fluoro-4,6-dimethylphenyl)-(4-methylcyclohexen-1-yl)methanone?
The InChIKey is FTECBNYQWVITCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FO/c1-10-4-6-13(7-5-10)16(18)15-12(3)8-11(2)9-14(15)17/h6,8-10H,4-5,7H2,1-3H3.
What are the key properties of (2-fluoro-4,6-dimethylphenyl)-(4-methylcyclohexen-1-yl)methanone?
(2-fluoro-4,6-dimethylphenyl)-(4-methylcyclohexen-1-yl)methanone has a molecular weight of 246.32 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4,6-dimethylphenyl)-(4-methylcyclohexen-1-yl)methanone is sourced from PubChem (CID 106880978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).