4-methyl-9-phenyl-8-(thiophene-3-carbonyl)furo[2,3-h]chromen-2-one

C23H14O4S — CID 45104405

IUPAC4-methyl-9-phenyl-8-(thiophene-3-carbonyl)furo[2,3-h]chromen-2-one
SMILESCc1cc(=O)oc2c1ccc1oc(C(=O)c3ccsc3)c(-c3ccccc3)c12
InChIInChI=1S/C23H14O4S/c1-13-11-18(24)27-22-16(13)7-8-17-20(22)19(14-5-3-2-4-6-14)23(26-17)21(25)15-9-10-28-12-15/h2-12H,1H3
InChIKeyIZHXGXOYDRPDGG-UHFFFAOYSA-N
MW386.43 g/mol
LogP5.81
Rot. Bonds3

About 4-methyl-9-phenyl-8-(thiophene-3-carbonyl)furo[2,3-h]chromen-2-one

4-methyl-9-phenyl-8-(thiophene-3-carbonyl)furo[2,3-h]chromen-2-one (PubChem CID 45104405) has the molecular formula C23H14O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is 4-methyl-9-phenyl-8-(thiophene-3-carbonyl)furo[2,3-h]chromen-2-one.

Molecular Properties

Compound Name4-methyl-9-phenyl-8-(thiophene-3-carbonyl)furo[2,3-h]chromen-2-one
PubChem CID45104405
Molecular FormulaC23H14O4S
Molecular Weight386.43 g/mol
Exact Mass386.06
IUPAC Name4-methyl-9-phenyl-8-(thiophene-3-carbonyl)furo[2,3-h]chromen-2-one
SMILESCc1cc(=O)oc2c1ccc1oc(C(=O)c3ccsc3)c(-c3ccccc3)c12
InChIInChI=1S/C23H14O4S/c1-13-11-18(24)27-22-16(13)7-8-17-20(22)19(14-5-3-2-4-6-14)23(26-17)21(25)15-9-10-28-12-15/h2-12H,1H3
InChIKeyIZHXGXOYDRPDGG-UHFFFAOYSA-N
XLogP5.81
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.43
LogP ≤ 55.81
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

8-benzoyl-4-methyl-9-phenyl-2H-furo[2,3-h]chromen-2-one
CID 1794747
2-Methoxyethyl 2-methyl-5-(thiophene-2-carbonyloxy)-1-benzofuran-3-carboxylate
CID 1893221
Methyl 2-methyl-5-(thiophene-2-carbonyloxy)-1-benzofuran-3-carboxylate
CID 803459
8-Benzoyl-4,9-dimethylfuro(2,3-h)chromen-2-one
CID 899915
4-Methyl-8-(4-methylbenzoyl)-9-phenylfuro[2,3-h]chromen-2-one
CID 1795344
4-[3-(3-Acetylthiophen-2-yl)phenyl]-5,7-dimethoxychromen-2-one
CID 6540239
4-Methyl-9-phenyl-8-(thiophene-2-carbonyl)furo[2,3-h]chromen-2-one
CID 44553009
8-(Furan-2-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44553196
8-Benzoyl-3,4-dimethyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44553538
8-Benzoyl-4-ethyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44553539
8-Benzoyl-9-phenyl-4-propylfuro[2,3-h]chromen-2-one
CID 44553702
8-(2-Methoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44554390

Frequently Asked Questions

What is the IUPAC name of 4-methyl-9-phenyl-8-(thiophene-3-carbonyl)furo[2,3-h]chromen-2-one?
The IUPAC name of 4-methyl-9-phenyl-8-(thiophene-3-carbonyl)furo[2,3-h]chromen-2-one (CID 45104405) is 4-methyl-9-phenyl-8-(thiophene-3-carbonyl)furo[2,3-h]chromen-2-one.
What is the SMILES notation for 4-methyl-9-phenyl-8-(thiophene-3-carbonyl)furo[2,3-h]chromen-2-one?
The canonical SMILES for 4-methyl-9-phenyl-8-(thiophene-3-carbonyl)furo[2,3-h]chromen-2-one is Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccsc3)c(-c3ccccc3)c12.
What is the InChIKey of 4-methyl-9-phenyl-8-(thiophene-3-carbonyl)furo[2,3-h]chromen-2-one?
The InChIKey is IZHXGXOYDRPDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14O4S/c1-13-11-18(24)27-22-16(13)7-8-17-20(22)19(14-5-3-2-4-6-14)23(26-17)21(25)15-9-10-28-12-15/h2-12H,1H3.
What are the key properties of 4-methyl-9-phenyl-8-(thiophene-3-carbonyl)furo[2,3-h]chromen-2-one?
4-methyl-9-phenyl-8-(thiophene-3-carbonyl)furo[2,3-h]chromen-2-one has a molecular weight of 386.43 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-9-phenyl-8-(thiophene-3-carbonyl)furo[2,3-h]chromen-2-one is sourced from PubChem (CID 45104405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).