(3-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanone

C13H11FO2S — CID 115787659

IUPAC(3-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanone
SMILESCOc1csc(C(=O)c2cc(C)cc(F)c2)c1
InChIInChI=1S/C13H11FO2S/c1-8-3-9(5-10(14)4-8)13(15)12-6-11(16-2)7-17-12/h3-7H,1-2H3
InChIKeyIFQNUYVXGMKLTJ-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.44
Rot. Bonds3

About (3-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanone

(3-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanone (PubChem CID 115787659) has the molecular formula C13H11FO2S and a molecular weight of 250.29 g/mol. Its IUPAC name is (3-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanone
PubChem CID115787659
Molecular FormulaC13H11FO2S
Molecular Weight250.29 g/mol
Exact Mass250.05
IUPAC Name(3-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanone
SMILESCOc1csc(C(=O)c2cc(C)cc(F)c2)c1
InChIInChI=1S/C13H11FO2S/c1-8-3-9(5-10(14)4-8)13(15)12-6-11(16-2)7-17-12/h3-7H,1-2H3
InChIKeyIFQNUYVXGMKLTJ-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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Related Compounds

(3,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 114963052
(4-methoxythiophen-2-yl)-(4-methylphenyl)methanone
CID 81127341
(2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 81127133
(3-bromo-4-fluorophenyl)-(4-methoxythiophen-2-yl)methanone
CID 81127475
(4-methoxythiophen-2-yl)-thiophen-3-ylmethanone
CID 114975247
(4-methoxythiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanone
CID 81127335
(3-fluoro-5-methylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 146006913
(4-methoxythiophen-2-yl)-(2-methylquinolin-6-yl)methanone
CID 115790453
(5-bromothiophen-3-yl)-(3-fluoro-5-methylphenyl)methanone
CID 105118815
(3,4-dibromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone
CID 81126729
(2-chloro-4,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 115483503
(3,4-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone
CID 79020421

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanone?
The IUPAC name of (3-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanone (CID 115787659) is (3-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanone.
What is the SMILES notation for (3-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanone?
The canonical SMILES for (3-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanone is COc1csc(C(=O)c2cc(C)cc(F)c2)c1.
What is the InChIKey of (3-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanone?
The InChIKey is IFQNUYVXGMKLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO2S/c1-8-3-9(5-10(14)4-8)13(15)12-6-11(16-2)7-17-12/h3-7H,1-2H3.
What are the key properties of (3-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanone?
(3-fluoro-5-methylphenyl)-(4-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-5-methylphenyl)-(4-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 115787659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).