6-methoxy-3-thiophen-3-ylchromen-2-one

C14H10O3S — CID 52915140

IUPAC6-methoxy-3-thiophen-3-ylchromen-2-one
SMILESCOc1ccc2oc(=O)c(-c3ccsc3)cc2c1
InChIInChI=1S/C14H10O3S/c1-16-11-2-3-13-10(6-11)7-12(14(15)17-13)9-4-5-18-8-9/h2-8H,1H3
InChIKeyOOEJVBXLJQBJNN-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.53
Rot. Bonds2

About 6-methoxy-3-thiophen-3-ylchromen-2-one

6-methoxy-3-thiophen-3-ylchromen-2-one (PubChem CID 52915140) has the molecular formula C14H10O3S and a molecular weight of 258.30 g/mol. Its IUPAC name is 6-methoxy-3-thiophen-3-ylchromen-2-one.

Molecular Properties

Compound Name6-methoxy-3-thiophen-3-ylchromen-2-one
PubChem CID52915140
Molecular FormulaC14H10O3S
Molecular Weight258.30 g/mol
Exact Mass258.04
IUPAC Name6-methoxy-3-thiophen-3-ylchromen-2-one
SMILESCOc1ccc2oc(=O)c(-c3ccsc3)cc2c1
InChIInChI=1S/C14H10O3S/c1-16-11-2-3-13-10(6-11)7-12(14(15)17-13)9-4-5-18-8-9/h2-8H,1H3
InChIKeyOOEJVBXLJQBJNN-UHFFFAOYSA-N
XLogP3.53
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Thienyl)chromone
CID 240093
7-Methoxy-3-(thiophen-3-yl)coumarin
CID 21982105
7-Methoxy-3-(thiophen-2-yl)coumarin
CID 54580315
3-(2-Thienyl)-2H-1-benzopyran-2-one
CID 14101461
4-Isopropyl-3-methylphenyl 2-thiophenecarboxylate
CID 881438
(2-Oxochromen-7-yl) thiophene-2-carboxylate
CID 1121490
2''-Ethoxy-5''-methoxy-2-(5-methylthienyl)chalcone
CID 25147699
3-Thienylchromone
CID 44202106
(E)-1-(5-methoxy-2-propoxyphenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 44578761
6-Methoxy-3-(thiophen-2-yl)coumarin
CID 52915139
6-Thiophen-2-ylchromen-2-one
CID 53379700
6-(5-Acetylthiophen-2-yl)chromen-2-one
CID 134146863

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-thiophen-3-ylchromen-2-one?
The IUPAC name of 6-methoxy-3-thiophen-3-ylchromen-2-one (CID 52915140) is 6-methoxy-3-thiophen-3-ylchromen-2-one.
What is the SMILES notation for 6-methoxy-3-thiophen-3-ylchromen-2-one?
The canonical SMILES for 6-methoxy-3-thiophen-3-ylchromen-2-one is COc1ccc2oc(=O)c(-c3ccsc3)cc2c1.
What is the InChIKey of 6-methoxy-3-thiophen-3-ylchromen-2-one?
The InChIKey is OOEJVBXLJQBJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3S/c1-16-11-2-3-13-10(6-11)7-12(14(15)17-13)9-4-5-18-8-9/h2-8H,1H3.
What are the key properties of 6-methoxy-3-thiophen-3-ylchromen-2-one?
6-methoxy-3-thiophen-3-ylchromen-2-one has a molecular weight of 258.30 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-thiophen-3-ylchromen-2-one is sourced from PubChem (CID 52915140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).