7-methoxy-4-[5-(2-methoxyphenyl)thiophen-2-yl]chromen-2-one

C21H16O4S — CID 135265439

IUPAC7-methoxy-4-[5-(2-methoxyphenyl)thiophen-2-yl]chromen-2-one
SMILESCOc1ccc2c(-c3ccc(-c4ccccc4OC)s3)cc(=O)oc2c1
InChIInChI=1S/C21H16O4S/c1-23-13-7-8-14-16(12-21(22)25-18(14)11-13)20-10-9-19(26-20)15-5-3-4-6-17(15)24-2/h3-12H,1-2H3
InChIKeySFEUMEZPODJTNI-UHFFFAOYSA-N
MW364.42 g/mol
LogP5.21
Rot. Bonds4

About 7-methoxy-4-[5-(2-methoxyphenyl)thiophen-2-yl]chromen-2-one

7-methoxy-4-[5-(2-methoxyphenyl)thiophen-2-yl]chromen-2-one (PubChem CID 135265439) has the molecular formula C21H16O4S and a molecular weight of 364.42 g/mol. Its IUPAC name is 7-methoxy-4-[5-(2-methoxyphenyl)thiophen-2-yl]chromen-2-one.

Molecular Properties

Compound Name7-methoxy-4-[5-(2-methoxyphenyl)thiophen-2-yl]chromen-2-one
PubChem CID135265439
Molecular FormulaC21H16O4S
Molecular Weight364.42 g/mol
Exact Mass364.08
IUPAC Name7-methoxy-4-[5-(2-methoxyphenyl)thiophen-2-yl]chromen-2-one
SMILESCOc1ccc2c(-c3ccc(-c4ccccc4OC)s3)cc(=O)oc2c1
InChIInChI=1S/C21H16O4S/c1-23-13-7-8-14-16(12-21(22)25-18(14)11-13)20-10-9-19(26-20)15-5-3-4-6-17(15)24-2/h3-12H,1-2H3
InChIKeySFEUMEZPODJTNI-UHFFFAOYSA-N
XLogP5.21
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.42
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

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CID 46879082
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4-(bromomethyl)-7-methoxychromen-2-one;cyclohepta-2,4,6-trien-1-one
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4-(iodomethyl)-7-methoxychromen-2-one
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4-(2-methylphenyl)-7-propan-2-yloxychromen-2-one
CID 167497973
7-methoxy-4-[[1-(2-methoxyphenyl)ethyl-methylamino]methyl]chromen-2-one
CID 55628357
6-methoxy-2-(2-methoxyphenyl)chromen-4-one
CID 676288
4-(3-methoxyphenyl)chromen-2-one
CID 10538749
4-(1-benzylimidazol-4-yl)-7-methoxychromen-2-one
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CID 688586

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[5-(2-methoxyphenyl)thiophen-2-yl]chromen-2-one?
The IUPAC name of 7-methoxy-4-[5-(2-methoxyphenyl)thiophen-2-yl]chromen-2-one (CID 135265439) is 7-methoxy-4-[5-(2-methoxyphenyl)thiophen-2-yl]chromen-2-one.
What is the SMILES notation for 7-methoxy-4-[5-(2-methoxyphenyl)thiophen-2-yl]chromen-2-one?
The canonical SMILES for 7-methoxy-4-[5-(2-methoxyphenyl)thiophen-2-yl]chromen-2-one is COc1ccc2c(-c3ccc(-c4ccccc4OC)s3)cc(=O)oc2c1.
What is the InChIKey of 7-methoxy-4-[5-(2-methoxyphenyl)thiophen-2-yl]chromen-2-one?
The InChIKey is SFEUMEZPODJTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O4S/c1-23-13-7-8-14-16(12-21(22)25-18(14)11-13)20-10-9-19(26-20)15-5-3-4-6-17(15)24-2/h3-12H,1-2H3.
What are the key properties of 7-methoxy-4-[5-(2-methoxyphenyl)thiophen-2-yl]chromen-2-one?
7-methoxy-4-[5-(2-methoxyphenyl)thiophen-2-yl]chromen-2-one has a molecular weight of 364.42 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[5-(2-methoxyphenyl)thiophen-2-yl]chromen-2-one is sourced from PubChem (CID 135265439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).