2-(4-oxo-2-phenylchromen-3-yl)oxyacetic acid

C17H12O5 — CID 735034

IUPAC2-(4-oxo-2-phenylchromen-3-yl)oxyacetic acid
SMILESO=C(O)COc1c(-c2ccccc2)oc2ccccc2c1=O
InChIInChI=1S/C17H12O5/c18-14(19)10-21-17-15(20)12-8-4-5-9-13(12)22-16(17)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19)
InChIKeyXRNYYUDRVWPOKG-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.92
Rot. Bonds4

About 2-(4-oxo-2-phenylchromen-3-yl)oxyacetic acid

2-(4-oxo-2-phenylchromen-3-yl)oxyacetic acid (PubChem CID 735034) has the molecular formula C17H12O5 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-(4-oxo-2-phenylchromen-3-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(4-oxo-2-phenylchromen-3-yl)oxyacetic acid
PubChem CID735034
Molecular FormulaC17H12O5
Molecular Weight296.28 g/mol
Exact Mass296.07
IUPAC Name2-(4-oxo-2-phenylchromen-3-yl)oxyacetic acid
SMILESO=C(O)COc1c(-c2ccccc2)oc2ccccc2c1=O
InChIInChI=1S/C17H12O5/c18-14(19)10-21-17-15(20)12-8-4-5-9-13(12)22-16(17)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19)
InChIKeyXRNYYUDRVWPOKG-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

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Related Compounds

2-(4-oxo-2-phenylchromen-3-yl)oxyacetamide
CID 735033
3-phenacyloxy-2-phenylchromen-4-one
CID 7730834
methyl 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetate
CID 2240973
2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetic acid
CID 7747825
3-(oxiran-2-ylmethoxy)-2-phenylchromen-4-one
CID 87249691
(4-oxo-2-phenylchromen-3-yl) 2-methylprop-2-enoate
CID 2752530
3-hydroxy-2-phenylchromen-4-one;iron
CID 161072875
2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetic acid
CID 7742761
(4-oxo-2-phenylchromen-3-yl) 2-bromobenzoate
CID 1178206
2-(1,3-diphenyldibenzofuran-2-yl)oxyacetic acid
CID 22237539
2-methoxyethyl 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxyacetate
CID 7746637
2,3-diphenyl-1-benzofuran;2-hydroxyacetic acid
CID 70599531

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-2-phenylchromen-3-yl)oxyacetic acid?
The IUPAC name of 2-(4-oxo-2-phenylchromen-3-yl)oxyacetic acid (CID 735034) is 2-(4-oxo-2-phenylchromen-3-yl)oxyacetic acid.
What is the SMILES notation for 2-(4-oxo-2-phenylchromen-3-yl)oxyacetic acid?
The canonical SMILES for 2-(4-oxo-2-phenylchromen-3-yl)oxyacetic acid is O=C(O)COc1c(-c2ccccc2)oc2ccccc2c1=O.
What is the InChIKey of 2-(4-oxo-2-phenylchromen-3-yl)oxyacetic acid?
The InChIKey is XRNYYUDRVWPOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O5/c18-14(19)10-21-17-15(20)12-8-4-5-9-13(12)22-16(17)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19).
What are the key properties of 2-(4-oxo-2-phenylchromen-3-yl)oxyacetic acid?
2-(4-oxo-2-phenylchromen-3-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-(4-oxo-2-phenylchromen-3-yl)oxyacetic acid is sourced from PubChem (CID 735034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).