7-methoxy-2-(3-methylthiophen-2-yl)chromen-4-one

C15H12O3S — CID 127032273

IUPAC7-methoxy-2-(3-methylthiophen-2-yl)chromen-4-one
SMILESCOc1ccc2c(=O)cc(-c3sccc3C)oc2c1
InChIInChI=1S/C15H12O3S/c1-9-5-6-19-15(9)14-8-12(16)11-4-3-10(17-2)7-13(11)18-14/h3-8H,1-2H3
InChIKeyLAVYJYIWVJOMAN-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.84
Rot. Bonds2

About 7-methoxy-2-(3-methylthiophen-2-yl)chromen-4-one

7-methoxy-2-(3-methylthiophen-2-yl)chromen-4-one (PubChem CID 127032273) has the molecular formula C15H12O3S and a molecular weight of 272.32 g/mol. Its IUPAC name is 7-methoxy-2-(3-methylthiophen-2-yl)chromen-4-one.

Molecular Properties

Compound Name7-methoxy-2-(3-methylthiophen-2-yl)chromen-4-one
PubChem CID127032273
Molecular FormulaC15H12O3S
Molecular Weight272.32 g/mol
Exact Mass272.05
IUPAC Name7-methoxy-2-(3-methylthiophen-2-yl)chromen-4-one
SMILESCOc1ccc2c(=O)cc(-c3sccc3C)oc2c1
InChIInChI=1S/C15H12O3S/c1-9-5-6-19-15(9)14-8-12(16)11-4-3-10(17-2)7-13(11)18-14/h3-8H,1-2H3
InChIKeyLAVYJYIWVJOMAN-UHFFFAOYSA-N
XLogP3.84
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Thienyl)chromone
CID 240093
2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetic acid
CID 1944908
3-Hydroxy-2-(thiophen-2-yl)-4h-chromen-4-one
CID 254340
Ethyl 4-[5-(5-methyl-2-thienyl)-5-oxo-pentoxy]benzoate
CID 3007749
4-[3-(3-Acetylthiophen-2-yl)phenyl]-5,7-dimethoxychromen-2-one
CID 6540239
4-[2-Acetyl-5-(thiophen-3-ylmethoxy)-phenoxy]-4-o-tolyl-butyric acid
CID 11796594
7-Methoxy-3-(thiophen-3-yl)coumarin
CID 21982105
7-Methoxy-3-(thiophen-2-yl)coumarin
CID 54580315
5-Hydroxy-2-(2-thiophen-2-ylethyl)chromen-4-one
CID 76325517
(4-Methoxyphenyl)-2-thienylmethanone
CID 77812
4-(Methoxycarbonyl)phenyl thiophene-2-carboxylate
CID 765269
4-Acetylphenyl 2-thiophenecarboxylate
CID 766060

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(3-methylthiophen-2-yl)chromen-4-one?
The IUPAC name of 7-methoxy-2-(3-methylthiophen-2-yl)chromen-4-one (CID 127032273) is 7-methoxy-2-(3-methylthiophen-2-yl)chromen-4-one.
What is the SMILES notation for 7-methoxy-2-(3-methylthiophen-2-yl)chromen-4-one?
The canonical SMILES for 7-methoxy-2-(3-methylthiophen-2-yl)chromen-4-one is COc1ccc2c(=O)cc(-c3sccc3C)oc2c1.
What is the InChIKey of 7-methoxy-2-(3-methylthiophen-2-yl)chromen-4-one?
The InChIKey is LAVYJYIWVJOMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3S/c1-9-5-6-19-15(9)14-8-12(16)11-4-3-10(17-2)7-13(11)18-14/h3-8H,1-2H3.
What are the key properties of 7-methoxy-2-(3-methylthiophen-2-yl)chromen-4-one?
7-methoxy-2-(3-methylthiophen-2-yl)chromen-4-one has a molecular weight of 272.32 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(3-methylthiophen-2-yl)chromen-4-one is sourced from PubChem (CID 127032273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).