4-(5-phenylthiophen-2-yl)chromen-2-one

C19H12O2S — CID 135259683

IUPAC4-(5-phenylthiophen-2-yl)chromen-2-one
SMILESO=c1cc(-c2ccc(-c3ccccc3)s2)c2ccccc2o1
InChIInChI=1S/C19H12O2S/c20-19-12-15(14-8-4-5-9-16(14)21-19)18-11-10-17(22-18)13-6-2-1-3-7-13/h1-12H
InChIKeyLQUWXVKKEAUSPC-UHFFFAOYSA-N
MW304.37 g/mol
LogP5.19
Rot. Bonds2

About 4-(5-phenylthiophen-2-yl)chromen-2-one

4-(5-phenylthiophen-2-yl)chromen-2-one (PubChem CID 135259683) has the molecular formula C19H12O2S and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-(5-phenylthiophen-2-yl)chromen-2-one.

Molecular Properties

Compound Name4-(5-phenylthiophen-2-yl)chromen-2-one
PubChem CID135259683
Molecular FormulaC19H12O2S
Molecular Weight304.37 g/mol
Exact Mass304.06
IUPAC Name4-(5-phenylthiophen-2-yl)chromen-2-one
SMILESO=c1cc(-c2ccc(-c3ccccc3)s2)c2ccccc2o1
InChIInChI=1S/C19H12O2S/c20-19-12-15(14-8-4-5-9-16(14)21-19)18-11-10-17(22-18)13-6-2-1-3-7-13/h1-12H
InChIKeyLQUWXVKKEAUSPC-UHFFFAOYSA-N
XLogP5.19
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.37
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methoxyphenyl)chromen-2-one
CID 10538749
4-[3-(bromomethyl)phenyl]chromen-2-one
CID 174877347
5-phenylchromen-2-one
CID 90255348
4-(4-hydroxyphenyl)chromen-2-one
CID 87209427
4-(2,5-dimethylthiophen-3-yl)chromen-2-one
CID 58882738
4-(furan-3-yl)chromen-2-one
CID 139774091
4-[5-(4-methylphenyl)furan-2-yl]chromen-2-one
CID 135259642
7-methoxy-4-[5-(2-methoxyphenyl)thiophen-2-yl]chromen-2-one
CID 135265439
5-tert-butyl-4-phenylchromen-2-one
CID 102302945
3-phenyl-4-(5-phenylthiophen-2-yl)furan
CID 91337599
4-(4-butoxyphenyl)chromen-2-one
CID 102166344
6-tert-butyl-4-[4-(4-phenylphenyl)phenyl]chromen-2-one
CID 11235769

Frequently Asked Questions

What is the IUPAC name of 4-(5-phenylthiophen-2-yl)chromen-2-one?
The IUPAC name of 4-(5-phenylthiophen-2-yl)chromen-2-one (CID 135259683) is 4-(5-phenylthiophen-2-yl)chromen-2-one.
What is the SMILES notation for 4-(5-phenylthiophen-2-yl)chromen-2-one?
The canonical SMILES for 4-(5-phenylthiophen-2-yl)chromen-2-one is O=c1cc(-c2ccc(-c3ccccc3)s2)c2ccccc2o1.
What is the InChIKey of 4-(5-phenylthiophen-2-yl)chromen-2-one?
The InChIKey is LQUWXVKKEAUSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O2S/c20-19-12-15(14-8-4-5-9-16(14)21-19)18-11-10-17(22-18)13-6-2-1-3-7-13/h1-12H.
What are the key properties of 4-(5-phenylthiophen-2-yl)chromen-2-one?
4-(5-phenylthiophen-2-yl)chromen-2-one has a molecular weight of 304.37 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenylthiophen-2-yl)chromen-2-one is sourced from PubChem (CID 135259683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).