(4-ethylphenyl)-(2-fluoro-3-methylphenyl)methanone

C16H15FO — CID 81480205

IUPAC(4-ethylphenyl)-(2-fluoro-3-methylphenyl)methanone
SMILESCCc1ccc(C(=O)c2cccc(C)c2F)cc1
InChIInChI=1S/C16H15FO/c1-3-12-7-9-13(10-8-12)16(18)14-6-4-5-11(2)15(14)17/h4-10H,3H2,1-2H3
InChIKeyINSIQPACCSRPGI-UHFFFAOYSA-N
MW242.29 g/mol
LogP3.93
Rot. Bonds3

About (4-ethylphenyl)-(2-fluoro-3-methylphenyl)methanone

(4-ethylphenyl)-(2-fluoro-3-methylphenyl)methanone (PubChem CID 81480205) has the molecular formula C16H15FO and a molecular weight of 242.29 g/mol. Its IUPAC name is (4-ethylphenyl)-(2-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-(2-fluoro-3-methylphenyl)methanone
PubChem CID81480205
Molecular FormulaC16H15FO
Molecular Weight242.29 g/mol
Exact Mass242.11
IUPAC Name(4-ethylphenyl)-(2-fluoro-3-methylphenyl)methanone
SMILESCCc1ccc(C(=O)c2cccc(C)c2F)cc1
InChIInChI=1S/C16H15FO/c1-3-12-7-9-13(10-8-12)16(18)14-6-4-5-11(2)15(14)17/h4-10H,3H2,1-2H3
InChIKeyINSIQPACCSRPGI-UHFFFAOYSA-N
XLogP3.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(2-fluoro-3-methylphenyl)methanone?
The IUPAC name of (4-ethylphenyl)-(2-fluoro-3-methylphenyl)methanone (CID 81480205) is (4-ethylphenyl)-(2-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for (4-ethylphenyl)-(2-fluoro-3-methylphenyl)methanone?
The canonical SMILES for (4-ethylphenyl)-(2-fluoro-3-methylphenyl)methanone is CCc1ccc(C(=O)c2cccc(C)c2F)cc1.
What is the InChIKey of (4-ethylphenyl)-(2-fluoro-3-methylphenyl)methanone?
The InChIKey is INSIQPACCSRPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO/c1-3-12-7-9-13(10-8-12)16(18)14-6-4-5-11(2)15(14)17/h4-10H,3H2,1-2H3.
What are the key properties of (4-ethylphenyl)-(2-fluoro-3-methylphenyl)methanone?
(4-ethylphenyl)-(2-fluoro-3-methylphenyl)methanone has a molecular weight of 242.29 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(2-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 81480205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).