2-[5-(carboxymethoxy)-4-methyl-2-oxochromen-7-yl]oxyacetic acid

C14H12O8 — CID 677583

IUPAC2-[5-(carboxymethoxy)-4-methyl-2-oxochromen-7-yl]oxyacetic acid
SMILESCc1cc(=O)oc2cc(OCC(=O)O)cc(OCC(=O)O)c12
InChIInChI=1S/C14H12O8/c1-7-2-13(19)22-10-4-8(20-5-11(15)16)3-9(14(7)10)21-6-12(17)18/h2-4H,5-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyKHIRWZSABYLNKT-UHFFFAOYSA-N
MW308.24 g/mol
LogP1.03
Rot. Bonds6

About 2-[5-(carboxymethoxy)-4-methyl-2-oxochromen-7-yl]oxyacetic acid

2-[5-(carboxymethoxy)-4-methyl-2-oxochromen-7-yl]oxyacetic acid (PubChem CID 677583) has the molecular formula C14H12O8 and a molecular weight of 308.24 g/mol. Its IUPAC name is 2-[5-(carboxymethoxy)-4-methyl-2-oxochromen-7-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[5-(carboxymethoxy)-4-methyl-2-oxochromen-7-yl]oxyacetic acid
PubChem CID677583
Molecular FormulaC14H12O8
Molecular Weight308.24 g/mol
Exact Mass308.05
IUPAC Name2-[5-(carboxymethoxy)-4-methyl-2-oxochromen-7-yl]oxyacetic acid
SMILESCc1cc(=O)oc2cc(OCC(=O)O)cc(OCC(=O)O)c12
InChIInChI=1S/C14H12O8/c1-7-2-13(19)22-10-4-8(20-5-11(15)16)3-9(14(7)10)21-6-12(17)18/h2-4H,5-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyKHIRWZSABYLNKT-UHFFFAOYSA-N
XLogP1.03
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[5-(carboxymethoxy)-4-methyl-2-oxochromen-7-yl]oxyacetic 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

2-(4,5-dimethyl-2-oxochromen-7-yl)oxyacetamide
CID 767870
2-(6-ethyl-4-methyl-2-oxochromen-7-yl)oxyacetic acid
CID 794317
5-methoxy-4-methyl-7-prop-2-enoxychromen-2-one
CID 12900454
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetic acid
CID 782909
2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetic acid
CID 662287
2-[5-(carboxymethoxy)-2-[3-(carboxymethoxy)-4-methoxyphenyl]-4-oxochromen-7-yl]oxyacetic acid
CID 67582589
2-[5-(2-amino-2-oxoethoxy)-2-oxo-4-phenylchromen-7-yl]oxyacetamide
CID 166604349
2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2-phenylpropyl)acetamide
CID 4909677
7,9-bis(2-oxopropoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
CID 2277193
N-(4-acetylphenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide
CID 4901462
(4-methyl-2-oxochromen-7-yl) 2-(3,5-dimethylphenoxy)acetate
CID 7727595
N-(2,4-difluorophenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide
CID 4972127

Frequently Asked Questions

What is the IUPAC name of 2-[5-(carboxymethoxy)-4-methyl-2-oxochromen-7-yl]oxyacetic acid?
The IUPAC name of 2-[5-(carboxymethoxy)-4-methyl-2-oxochromen-7-yl]oxyacetic acid (CID 677583) is 2-[5-(carboxymethoxy)-4-methyl-2-oxochromen-7-yl]oxyacetic acid.
What is the SMILES notation for 2-[5-(carboxymethoxy)-4-methyl-2-oxochromen-7-yl]oxyacetic acid?
The canonical SMILES for 2-[5-(carboxymethoxy)-4-methyl-2-oxochromen-7-yl]oxyacetic acid is Cc1cc(=O)oc2cc(OCC(=O)O)cc(OCC(=O)O)c12.
What is the InChIKey of 2-[5-(carboxymethoxy)-4-methyl-2-oxochromen-7-yl]oxyacetic acid?
The InChIKey is KHIRWZSABYLNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O8/c1-7-2-13(19)22-10-4-8(20-5-11(15)16)3-9(14(7)10)21-6-12(17)18/h2-4H,5-6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[5-(carboxymethoxy)-4-methyl-2-oxochromen-7-yl]oxyacetic acid?
2-[5-(carboxymethoxy)-4-methyl-2-oxochromen-7-yl]oxyacetic acid has a molecular weight of 308.24 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(carboxymethoxy)-4-methyl-2-oxochromen-7-yl]oxyacetic acid is sourced from PubChem (CID 677583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).