2-(4-oxo-2-thiophen-3-ylchromen-3-yl)acetic acid

C15H10O4S — CID 70624609

IUPAC2-(4-oxo-2-thiophen-3-ylchromen-3-yl)acetic acid
SMILESO=C(O)Cc1c(-c2ccsc2)oc2ccccc2c1=O
InChIInChI=1S/C15H10O4S/c16-13(17)7-11-14(18)10-3-1-2-4-12(10)19-15(11)9-5-6-20-8-9/h1-6,8H,7H2,(H,16,17)
InChIKeyCDGKWXIEUVLCFW-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.15
Rot. Bonds3

About 2-(4-oxo-2-thiophen-3-ylchromen-3-yl)acetic acid

2-(4-oxo-2-thiophen-3-ylchromen-3-yl)acetic acid (PubChem CID 70624609) has the molecular formula C15H10O4S and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-(4-oxo-2-thiophen-3-ylchromen-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-oxo-2-thiophen-3-ylchromen-3-yl)acetic acid
PubChem CID70624609
Molecular FormulaC15H10O4S
Molecular Weight286.31 g/mol
Exact Mass286.03
IUPAC Name2-(4-oxo-2-thiophen-3-ylchromen-3-yl)acetic acid
SMILESO=C(O)Cc1c(-c2ccsc2)oc2ccccc2c1=O
InChIInChI=1S/C15H10O4S/c16-13(17)7-11-14(18)10-3-1-2-4-12(10)19-15(11)9-5-6-20-8-9/h1-6,8H,7H2,(H,16,17)
InChIKeyCDGKWXIEUVLCFW-UHFFFAOYSA-N
XLogP3.15
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxo-2-thiophen-3-ylchromen-3-yl)acetamide
CID 90762987
2-(2-ethyl-4-oxochromen-3-yl)acetic acid
CID 19096361
2-(4-oxo-2-phenylchromen-3-yl)oxyacetic acid
CID 735034
ethyl 2-[2-(3,5-dimethoxyphenyl)-4-oxochromen-3-yl]acetate
CID 57338476
2-(4-methoxy-2-oxochromen-3-yl)acetic acid
CID 90279946
2-(9-oxoxanthen-4-yl)acetic acid;propane
CID 91358687
2-[2-(2-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid
CID 13105454
3-hydroxy-2-phenylchromen-4-one;iron
CID 161072875
2-(4-oxo-2-phenylchromen-3-yl)oxyacetamide
CID 735033
3-ethyl-4-oxochromene-2-carboxamide
CID 151195222
(4-oxo-2-phenylchromen-3-yl) thiophene-2-carboxylate
CID 734941
3-(fluoromethyl)-7-hydroxy-2-phenylchromen-4-one
CID 141051987

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-2-thiophen-3-ylchromen-3-yl)acetic acid?
The IUPAC name of 2-(4-oxo-2-thiophen-3-ylchromen-3-yl)acetic acid (CID 70624609) is 2-(4-oxo-2-thiophen-3-ylchromen-3-yl)acetic acid.
What is the SMILES notation for 2-(4-oxo-2-thiophen-3-ylchromen-3-yl)acetic acid?
The canonical SMILES for 2-(4-oxo-2-thiophen-3-ylchromen-3-yl)acetic acid is O=C(O)Cc1c(-c2ccsc2)oc2ccccc2c1=O.
What is the InChIKey of 2-(4-oxo-2-thiophen-3-ylchromen-3-yl)acetic acid?
The InChIKey is CDGKWXIEUVLCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O4S/c16-13(17)7-11-14(18)10-3-1-2-4-12(10)19-15(11)9-5-6-20-8-9/h1-6,8H,7H2,(H,16,17).
What are the key properties of 2-(4-oxo-2-thiophen-3-ylchromen-3-yl)acetic acid?
2-(4-oxo-2-thiophen-3-ylchromen-3-yl)acetic acid has a molecular weight of 286.31 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-2-thiophen-3-ylchromen-3-yl)acetic acid is sourced from PubChem (CID 70624609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).