2-(1,3-dioxo-2-phenylinden-2-yl)acetic acid

C17H12O4 — CID 759372

IUPAC2-(1,3-dioxo-2-phenylinden-2-yl)acetic acid
SMILESO=C(O)CC1(c2ccccc2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H12O4/c18-14(19)10-17(11-6-2-1-3-7-11)15(20)12-8-4-5-9-13(12)16(17)21/h1-9H,10H2,(H,18,19)
InChIKeyLUSCNFVZKACQIA-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.48
Rot. Bonds3

About 2-(1,3-dioxo-2-phenylinden-2-yl)acetic acid

2-(1,3-dioxo-2-phenylinden-2-yl)acetic acid (PubChem CID 759372) has the molecular formula C17H12O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-(1,3-dioxo-2-phenylinden-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1,3-dioxo-2-phenylinden-2-yl)acetic acid
PubChem CID759372
Molecular FormulaC17H12O4
Molecular Weight280.28 g/mol
Exact Mass280.07
IUPAC Name2-(1,3-dioxo-2-phenylinden-2-yl)acetic acid
SMILESO=C(O)CC1(c2ccccc2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H12O4/c18-14(19)10-17(11-6-2-1-3-7-11)15(20)12-8-4-5-9-13(12)16(17)21/h1-9H,10H2,(H,18,19)
InChIKeyLUSCNFVZKACQIA-UHFFFAOYSA-N
XLogP2.48
TPSA71.44 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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxo-2-phenylinden-2-yl)acetic acid?
The IUPAC name of 2-(1,3-dioxo-2-phenylinden-2-yl)acetic acid (CID 759372) is 2-(1,3-dioxo-2-phenylinden-2-yl)acetic acid.
What is the SMILES notation for 2-(1,3-dioxo-2-phenylinden-2-yl)acetic acid?
The canonical SMILES for 2-(1,3-dioxo-2-phenylinden-2-yl)acetic acid is O=C(O)CC1(c2ccccc2)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxo-2-phenylinden-2-yl)acetic acid?
The InChIKey is LUSCNFVZKACQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O4/c18-14(19)10-17(11-6-2-1-3-7-11)15(20)12-8-4-5-9-13(12)16(17)21/h1-9H,10H2,(H,18,19).
What are the key properties of 2-(1,3-dioxo-2-phenylinden-2-yl)acetic acid?
2-(1,3-dioxo-2-phenylinden-2-yl)acetic acid has a molecular weight of 280.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxo-2-phenylinden-2-yl)acetic acid is sourced from PubChem (CID 759372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).