(3-fluoro-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone

C13H11FO2S — CID 81119166

IUPAC(3-fluoro-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccsc1C(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C13H11FO2S/c1-8-3-4-9(7-10(8)14)12(15)13-11(16-2)5-6-17-13/h3-7H,1-2H3
InChIKeyQYGPMMXCLBMNTQ-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.44
Rot. Bonds3

About (3-fluoro-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone

(3-fluoro-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone (PubChem CID 81119166) has the molecular formula C13H11FO2S and a molecular weight of 250.29 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone
PubChem CID81119166
Molecular FormulaC13H11FO2S
Molecular Weight250.29 g/mol
Exact Mass250.05
IUPAC Name(3-fluoro-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccsc1C(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C13H11FO2S/c1-8-3-4-9(7-10(8)14)12(15)13-11(16-2)5-6-17-13/h3-7H,1-2H3
InChIKeyQYGPMMXCLBMNTQ-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone?
The IUPAC name of (3-fluoro-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone (CID 81119166) is (3-fluoro-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone?
The canonical SMILES for (3-fluoro-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone is COc1ccsc1C(=O)c1ccc(C)c(F)c1.
What is the InChIKey of (3-fluoro-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone?
The InChIKey is QYGPMMXCLBMNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO2S/c1-8-3-4-9(7-10(8)14)12(15)13-11(16-2)5-6-17-13/h3-7H,1-2H3.
What are the key properties of (3-fluoro-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone?
(3-fluoro-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone has a molecular weight of 250.29 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 81119166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).