2-(7,8-dimethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid

C14H16O6 — CID 75357275

IUPAC2-(7,8-dimethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid
SMILESCOc1ccc2c(c1OC)OC(C)(CC(=O)O)CC2=O
InChIInChI=1S/C14H16O6/c1-14(7-11(16)17)6-9(15)8-4-5-10(18-2)13(19-3)12(8)20-14/h4-5H,6-7H2,1-3H3,(H,16,17)
InChIKeyBOVINXINRPEAML-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.90
Rot. Bonds4

About 2-(7,8-dimethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid

2-(7,8-dimethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid (PubChem CID 75357275) has the molecular formula C14H16O6 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-(7,8-dimethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(7,8-dimethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid
PubChem CID75357275
Molecular FormulaC14H16O6
Molecular Weight280.28 g/mol
Exact Mass280.09
IUPAC Name2-(7,8-dimethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid
SMILESCOc1ccc2c(c1OC)OC(C)(CC(=O)O)CC2=O
InChIInChI=1S/C14H16O6/c1-14(7-11(16)17)6-9(15)8-4-5-10(18-2)13(19-3)12(8)20-14/h4-5H,6-7H2,1-3H3,(H,16,17)
InChIKeyBOVINXINRPEAML-UHFFFAOYSA-N
XLogP1.90
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(7,8-dimethoxy-2-methyl-4-oxo-3H-chromen-2-yl)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

Related Compounds

7,8-dimethoxy-1'-(2-phenylacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762645
7,8-dimethoxy-1'-(4-nitrobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762628
1'-(3,4-dimethoxybenzoyl)-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762616
2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid
CID 115003452
1'-(furan-2-carbonyl)-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762631
1'-[2-(2-ethoxyphenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762684
1'-[2-(4-chlorophenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762711
2-(6-ethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid
CID 82019251
2-(2-methyl-4-oxo-6-phenyl-3H-chromen-2-yl)acetic acid
CID 82019255
methyl 2-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate
CID 108740066
7,8-dimethoxy-1'-(3-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762635
7,8-dimethoxy-1'-[2-(4-methoxyphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108740057

Frequently Asked Questions

What is the IUPAC name of 2-(7,8-dimethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid?
The IUPAC name of 2-(7,8-dimethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid (CID 75357275) is 2-(7,8-dimethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid.
What is the SMILES notation for 2-(7,8-dimethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid?
The canonical SMILES for 2-(7,8-dimethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid is COc1ccc2c(c1OC)OC(C)(CC(=O)O)CC2=O.
What is the InChIKey of 2-(7,8-dimethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid?
The InChIKey is BOVINXINRPEAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O6/c1-14(7-11(16)17)6-9(15)8-4-5-10(18-2)13(19-3)12(8)20-14/h4-5H,6-7H2,1-3H3,(H,16,17).
What are the key properties of 2-(7,8-dimethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid?
2-(7,8-dimethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid has a molecular weight of 280.28 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8-dimethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid is sourced from PubChem (CID 75357275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).