2-(2-oxo-1,10-dihydroanthracen-9-ylidene)acetic acid

C16H12O3 — CID 69187896

IUPAC2-(2-oxo-1,10-dihydroanthracen-9-ylidene)acetic acid
SMILESO=C(O)C=C1C2=C(C=CC(=O)C2)Cc2ccccc21
InChIInChI=1S/C16H12O3/c17-12-6-5-11-7-10-3-1-2-4-13(10)15(9-16(18)19)14(11)8-12/h1-6,9H,7-8H2,(H,18,19)
InChIKeyUQTKECOJLASZIL-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.54
Rot. Bonds1

About 2-(2-oxo-1,10-dihydroanthracen-9-ylidene)acetic acid

2-(2-oxo-1,10-dihydroanthracen-9-ylidene)acetic acid (PubChem CID 69187896) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(2-oxo-1,10-dihydroanthracen-9-ylidene)acetic acid.

Molecular Properties

Compound Name2-(2-oxo-1,10-dihydroanthracen-9-ylidene)acetic acid
PubChem CID69187896
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name2-(2-oxo-1,10-dihydroanthracen-9-ylidene)acetic acid
SMILESO=C(O)C=C1C2=C(C=CC(=O)C2)Cc2ccccc21
InChIInChI=1S/C16H12O3/c17-12-6-5-11-7-10-3-1-2-4-13(10)15(9-16(18)19)14(11)8-12/h1-6,9H,7-8H2,(H,18,19)
InChIKeyUQTKECOJLASZIL-UHFFFAOYSA-N
XLogP2.54
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(2-oxo-1,10-dihydroanthracen-9-ylidene)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,10-dihydroanthracen-9-ylidene)acetic acid?
The IUPAC name of 2-(2-oxo-1,10-dihydroanthracen-9-ylidene)acetic acid (CID 69187896) is 2-(2-oxo-1,10-dihydroanthracen-9-ylidene)acetic acid.
What is the SMILES notation for 2-(2-oxo-1,10-dihydroanthracen-9-ylidene)acetic acid?
The canonical SMILES for 2-(2-oxo-1,10-dihydroanthracen-9-ylidene)acetic acid is O=C(O)C=C1C2=C(C=CC(=O)C2)Cc2ccccc21.
What is the InChIKey of 2-(2-oxo-1,10-dihydroanthracen-9-ylidene)acetic acid?
The InChIKey is UQTKECOJLASZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c17-12-6-5-11-7-10-3-1-2-4-13(10)15(9-16(18)19)14(11)8-12/h1-6,9H,7-8H2,(H,18,19).
What are the key properties of 2-(2-oxo-1,10-dihydroanthracen-9-ylidene)acetic acid?
2-(2-oxo-1,10-dihydroanthracen-9-ylidene)acetic acid has a molecular weight of 252.27 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,10-dihydroanthracen-9-ylidene)acetic acid is sourced from PubChem (CID 69187896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).