2-(2-oxo-3-phenylchromen-8-yl)acetic acid

C17H12O4 — CID 10107691

IUPAC2-(2-oxo-3-phenylchromen-8-yl)acetic acid
SMILESO=C(O)Cc1cccc2cc(-c3ccccc3)c(=O)oc12
InChIInChI=1S/C17H12O4/c18-15(19)10-13-8-4-7-12-9-14(17(20)21-16(12)13)11-5-2-1-3-6-11/h1-9H,10H2,(H,18,19)
InChIKeyHHRXKHOMGPLQKE-UHFFFAOYSA-N
MW280.28 g/mol
LogP3.09
Rot. Bonds3

About 2-(2-oxo-3-phenylchromen-8-yl)acetic acid

2-(2-oxo-3-phenylchromen-8-yl)acetic acid (PubChem CID 10107691) has the molecular formula C17H12O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-(2-oxo-3-phenylchromen-8-yl)acetic acid.

Molecular Properties

Compound Name2-(2-oxo-3-phenylchromen-8-yl)acetic acid
PubChem CID10107691
Molecular FormulaC17H12O4
Molecular Weight280.28 g/mol
Exact Mass280.07
IUPAC Name2-(2-oxo-3-phenylchromen-8-yl)acetic acid
SMILESO=C(O)Cc1cccc2cc(-c3ccccc3)c(=O)oc12
InChIInChI=1S/C17H12O4/c18-15(19)10-13-8-4-7-12-9-14(17(20)21-16(12)13)11-5-2-1-3-6-11/h1-9H,10H2,(H,18,19)
InChIKeyHHRXKHOMGPLQKE-UHFFFAOYSA-N
XLogP3.09
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-methoxy-3-phenylchromen-2-one
CID 2195449
7-hydroxy-8-iodo-3-phenylchromen-2-one
CID 12695316
8-hydroxy-3-(4-methylphenyl)chromen-2-one
CID 73355033
3-phenylchromen-2-one;hydrochloride
CID 141206894
2-(2,6-diphenylphenyl)acetic acid
CID 69422987
2-[8-acetyloxy-3-(4-methylsulfonylphenyl)-2-oxochromen-7-yl]acetic acid
CID 75593414
7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-phenylchromen-2-one
CID 7205030
2-methyl-1-(7-phenyl-1-benzofuran-2-yl)propan-1-one
CID 65426129
6,8-ditert-butyl-3-phenylchromen-2-one
CID 26967072
2-(2-naphthalen-2-yl-6-phenylphenyl)acetic acid
CID 69422922
2-oxo-3-thiophen-3-ylchromene-8-carboxamide
CID 178068714
3-(2-oxo-8-prop-2-enylchromene-3-carbonyl)-8-prop-2-enylchromen-2-one
CID 56694172

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3-phenylchromen-8-yl)acetic acid?
The IUPAC name of 2-(2-oxo-3-phenylchromen-8-yl)acetic acid (CID 10107691) is 2-(2-oxo-3-phenylchromen-8-yl)acetic acid.
What is the SMILES notation for 2-(2-oxo-3-phenylchromen-8-yl)acetic acid?
The canonical SMILES for 2-(2-oxo-3-phenylchromen-8-yl)acetic acid is O=C(O)Cc1cccc2cc(-c3ccccc3)c(=O)oc12.
What is the InChIKey of 2-(2-oxo-3-phenylchromen-8-yl)acetic acid?
The InChIKey is HHRXKHOMGPLQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O4/c18-15(19)10-13-8-4-7-12-9-14(17(20)21-16(12)13)11-5-2-1-3-6-11/h1-9H,10H2,(H,18,19).
What are the key properties of 2-(2-oxo-3-phenylchromen-8-yl)acetic acid?
2-(2-oxo-3-phenylchromen-8-yl)acetic acid has a molecular weight of 280.28 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3-phenylchromen-8-yl)acetic acid is sourced from PubChem (CID 10107691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).