2-(2-oxo-4-phenylchromen-7-yl)oxyacetic acid

C17H12O5 — CID 655981

IUPAC2-(2-oxo-4-phenylchromen-7-yl)oxyacetic acid
SMILESO=C(O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C17H12O5/c18-16(19)10-21-12-6-7-13-14(11-4-2-1-3-5-11)9-17(20)22-15(13)8-12/h1-9H,10H2,(H,18,19)
InChIKeyQOBLMSXUHNMBDB-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.92
Rot. Bonds4

About 2-(2-oxo-4-phenylchromen-7-yl)oxyacetic acid

2-(2-oxo-4-phenylchromen-7-yl)oxyacetic acid (PubChem CID 655981) has the molecular formula C17H12O5 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-(2-oxo-4-phenylchromen-7-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(2-oxo-4-phenylchromen-7-yl)oxyacetic acid
PubChem CID655981
Molecular FormulaC17H12O5
Molecular Weight296.28 g/mol
Exact Mass296.07
IUPAC Name2-(2-oxo-4-phenylchromen-7-yl)oxyacetic acid
SMILESO=C(O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C17H12O5/c18-16(19)10-21-12-6-7-13-14(11-4-2-1-3-5-11)9-17(20)22-15(13)8-12/h1-9H,10H2,(H,18,19)
InChIKeyQOBLMSXUHNMBDB-UHFFFAOYSA-N
XLogP2.92
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-4-phenylchromen-7-yl)oxyacetic acid?
The IUPAC name of 2-(2-oxo-4-phenylchromen-7-yl)oxyacetic acid (CID 655981) is 2-(2-oxo-4-phenylchromen-7-yl)oxyacetic acid.
What is the SMILES notation for 2-(2-oxo-4-phenylchromen-7-yl)oxyacetic acid?
The canonical SMILES for 2-(2-oxo-4-phenylchromen-7-yl)oxyacetic acid is O=C(O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1.
What is the InChIKey of 2-(2-oxo-4-phenylchromen-7-yl)oxyacetic acid?
The InChIKey is QOBLMSXUHNMBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O5/c18-16(19)10-21-12-6-7-13-14(11-4-2-1-3-5-11)9-17(20)22-15(13)8-12/h1-9H,10H2,(H,18,19).
What are the key properties of 2-(2-oxo-4-phenylchromen-7-yl)oxyacetic acid?
2-(2-oxo-4-phenylchromen-7-yl)oxyacetic acid has a molecular weight of 296.28 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-4-phenylchromen-7-yl)oxyacetic acid is sourced from PubChem (CID 655981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).