6-(3-methoxy-3-oxoprop-1-enyl)-4-oxochromene-2-carboxylic acid

C14H10O6 — CID 169479732

IUPAC6-(3-methoxy-3-oxoprop-1-enyl)-4-oxochromene-2-carboxylic acid
SMILESCOC(=O)C=Cc1ccc2oc(C(=O)O)cc(=O)c2c1
InChIInChI=1S/C14H10O6/c1-19-13(16)5-3-8-2-4-11-9(6-8)10(15)7-12(20-11)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyAPEQQMOJLMRMNB-UHFFFAOYSA-N
MW274.23 g/mol
LogP1.68
Rot. Bonds3

About 6-(3-methoxy-3-oxoprop-1-enyl)-4-oxochromene-2-carboxylic acid

6-(3-methoxy-3-oxoprop-1-enyl)-4-oxochromene-2-carboxylic acid (PubChem CID 169479732) has the molecular formula C14H10O6 and a molecular weight of 274.23 g/mol. Its IUPAC name is 6-(3-methoxy-3-oxoprop-1-enyl)-4-oxochromene-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-methoxy-3-oxoprop-1-enyl)-4-oxochromene-2-carboxylic acid
PubChem CID169479732
Molecular FormulaC14H10O6
Molecular Weight274.23 g/mol
Exact Mass274.05
IUPAC Name6-(3-methoxy-3-oxoprop-1-enyl)-4-oxochromene-2-carboxylic acid
SMILESCOC(=O)C=Cc1ccc2oc(C(=O)O)cc(=O)c2c1
InChIInChI=1S/C14H10O6/c1-19-13(16)5-3-8-2-4-11-9(6-8)10(15)7-12(20-11)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyAPEQQMOJLMRMNB-UHFFFAOYSA-N
XLogP1.68
TPSA93.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(3-methoxy-3-oxoprop-1-enyl)-4-oxochromene-2-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

4-oxo-6-(4-sulfanylbut-1-enyl)chromene-2-carboxylic acid
CID 170479306
5-(3-ethoxy-3-oxoprop-1-enyl)-1-benzofuran-2-carboxylic acid
CID 169480947
4-oxo-6-propan-2-ylchromene-2-carboxylic acid
CID 57348583
6-(2-carboxy-4-oxochromene-6-carbonyl)-4-oxochromene-2-carboxylic acid
CID 154092450
methyl 3-(1,3-dioxo-2-benzofuran-5-yl)prop-2-enoate
CID 169479515
4-oxo-6-[3-sulfanyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]chromene-2-carboxylic acid
CID 170803928
2-hydroxy-5-(3-methoxy-3-oxoprop-1-enyl)benzoic acid
CID 66771929
4-[(E)-3-methoxy-3-oxoprop-1-enyl]-2-methylbenzoic acid
CID 58390842
6-(2-hydroxypropyl)-4-oxochromene-2-carboxylic acid
CID 15127974
methyl 6-methyl-4-oxochromene-2-carboxylate
CID 7021690
6-cyano-4-oxochromene-2-carboxylic acid
CID 122200604
methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 11823692

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxy-3-oxoprop-1-enyl)-4-oxochromene-2-carboxylic acid?
The IUPAC name of 6-(3-methoxy-3-oxoprop-1-enyl)-4-oxochromene-2-carboxylic acid (CID 169479732) is 6-(3-methoxy-3-oxoprop-1-enyl)-4-oxochromene-2-carboxylic acid.
What is the SMILES notation for 6-(3-methoxy-3-oxoprop-1-enyl)-4-oxochromene-2-carboxylic acid?
The canonical SMILES for 6-(3-methoxy-3-oxoprop-1-enyl)-4-oxochromene-2-carboxylic acid is COC(=O)C=Cc1ccc2oc(C(=O)O)cc(=O)c2c1.
What is the InChIKey of 6-(3-methoxy-3-oxoprop-1-enyl)-4-oxochromene-2-carboxylic acid?
The InChIKey is APEQQMOJLMRMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O6/c1-19-13(16)5-3-8-2-4-11-9(6-8)10(15)7-12(20-11)14(17)18/h2-7H,1H3,(H,17,18).
What are the key properties of 6-(3-methoxy-3-oxoprop-1-enyl)-4-oxochromene-2-carboxylic acid?
6-(3-methoxy-3-oxoprop-1-enyl)-4-oxochromene-2-carboxylic acid has a molecular weight of 274.23 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxy-3-oxoprop-1-enyl)-4-oxochromene-2-carboxylic acid is sourced from PubChem (CID 169479732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).