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

C20H14O3S — CID 135259602

IUPAC4-[5-(2-methoxyphenyl)thiophen-2-yl]chromen-2-one
SMILESCOc1ccccc1-c1ccc(-c2cc(=O)oc3ccccc23)s1
InChIInChI=1S/C20H14O3S/c1-22-16-8-4-3-7-14(16)18-10-11-19(24-18)15-12-20(21)23-17-9-5-2-6-13(15)17/h2-12H,1H3
InChIKeyPIGGFEWOYSTXAW-UHFFFAOYSA-N
MW334.40 g/mol
LogP5.20
Rot. Bonds3

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

4-[5-(2-methoxyphenyl)thiophen-2-yl]chromen-2-one (PubChem CID 135259602) has the molecular formula C20H14O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 4-[5-(2-methoxyphenyl)thiophen-2-yl]chromen-2-one.

Molecular Properties

Compound Name4-[5-(2-methoxyphenyl)thiophen-2-yl]chromen-2-one
PubChem CID135259602
Molecular FormulaC20H14O3S
Molecular Weight334.40 g/mol
Exact Mass334.07
IUPAC Name4-[5-(2-methoxyphenyl)thiophen-2-yl]chromen-2-one
SMILESCOc1ccccc1-c1ccc(-c2cc(=O)oc3ccccc23)s1
InChIInChI=1S/C20H14O3S/c1-22-16-8-4-3-7-14(16)18-10-11-19(24-18)15-12-20(21)23-17-9-5-2-6-13(15)17/h2-12H,1H3
InChIKeyPIGGFEWOYSTXAW-UHFFFAOYSA-N
XLogP5.20
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.40
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[5-(2-methoxyphenyl)thiophen-2-yl]chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methoxyphenyl)thiophen-2-yl]chromen-2-one?
The IUPAC name of 4-[5-(2-methoxyphenyl)thiophen-2-yl]chromen-2-one (CID 135259602) is 4-[5-(2-methoxyphenyl)thiophen-2-yl]chromen-2-one.
What is the SMILES notation for 4-[5-(2-methoxyphenyl)thiophen-2-yl]chromen-2-one?
The canonical SMILES for 4-[5-(2-methoxyphenyl)thiophen-2-yl]chromen-2-one is COc1ccccc1-c1ccc(-c2cc(=O)oc3ccccc23)s1.
What is the InChIKey of 4-[5-(2-methoxyphenyl)thiophen-2-yl]chromen-2-one?
The InChIKey is PIGGFEWOYSTXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O3S/c1-22-16-8-4-3-7-14(16)18-10-11-19(24-18)15-12-20(21)23-17-9-5-2-6-13(15)17/h2-12H,1H3.
What are the key properties of 4-[5-(2-methoxyphenyl)thiophen-2-yl]chromen-2-one?
4-[5-(2-methoxyphenyl)thiophen-2-yl]chromen-2-one has a molecular weight of 334.40 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methoxyphenyl)thiophen-2-yl]chromen-2-one is sourced from PubChem (CID 135259602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).