5-(2-methylpropoxy)-4-oxochromene-3-carboxylic acid

C14H14O5 — CID 46703349

IUPAC5-(2-methylpropoxy)-4-oxochromene-3-carboxylic acid
SMILESCC(C)COc1cccc2occ(C(=O)O)c(=O)c12
InChIInChI=1S/C14H14O5/c1-8(2)6-18-10-4-3-5-11-12(10)13(15)9(7-19-11)14(16)17/h3-5,7-8H,6H2,1-2H3,(H,16,17)
InChIKeyVYMRUWVXDWYGQU-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.53
Rot. Bonds4

About 5-(2-methylpropoxy)-4-oxochromene-3-carboxylic acid

5-(2-methylpropoxy)-4-oxochromene-3-carboxylic acid (PubChem CID 46703349) has the molecular formula C14H14O5 and a molecular weight of 262.26 g/mol. Its IUPAC name is 5-(2-methylpropoxy)-4-oxochromene-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylpropoxy)-4-oxochromene-3-carboxylic acid
PubChem CID46703349
Molecular FormulaC14H14O5
Molecular Weight262.26 g/mol
Exact Mass262.08
IUPAC Name5-(2-methylpropoxy)-4-oxochromene-3-carboxylic acid
SMILESCC(C)COc1cccc2occ(C(=O)O)c(=O)c12
InChIInChI=1S/C14H14O5/c1-8(2)6-18-10-4-3-5-11-12(10)13(15)9(7-19-11)14(16)17/h3-5,7-8H,6H2,1-2H3,(H,16,17)
InChIKeyVYMRUWVXDWYGQU-UHFFFAOYSA-N
XLogP2.53
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-methylpropoxy)-4-oxochromene-3-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-[(3-carboxy-1-benzofuran-4-yl)oxymethoxy]-1-benzofuran-3-carboxylic acid
CID 10981445
2,6-bis(2-methylpropoxy)benzoic acid
CID 15219087
2-methoxy-3-(2-methylpropoxy)benzoic acid
CID 82161609
2-chloro-6-(2-methylpropoxy)benzoic acid
CID 19005159
5-[2-hydroxy-3-(4-oxochromen-5-yl)oxypropoxy]-4-oxochromene-2-carboxylic acid
CID 54176594
3-[(2-hydroxyphenoxy)methyl]-1-benzofuran-4-carboxylic acid
CID 117170500
5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-(2-methylpropanoyloxy)propoxy]-4-oxochromene-2-carboxylic acid
CID 170409290
sodium;5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylic acid;hydride
CID 132968098
6-chloro-7-(2-methylpropoxy)-2-oxochromene-3-carboxylic acid
CID 102543476
5-bromo-2-[2-(2-methylpropoxy)benzoyl]oxybenzoic acid
CID 54854563
5-ethoxy-4-oxochromene-3-carbonitrile
CID 82047716
2-(2-methylpropoxy)-4-phenylmethoxybenzoic acid
CID 10709345

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropoxy)-4-oxochromene-3-carboxylic acid?
The IUPAC name of 5-(2-methylpropoxy)-4-oxochromene-3-carboxylic acid (CID 46703349) is 5-(2-methylpropoxy)-4-oxochromene-3-carboxylic acid.
What is the SMILES notation for 5-(2-methylpropoxy)-4-oxochromene-3-carboxylic acid?
The canonical SMILES for 5-(2-methylpropoxy)-4-oxochromene-3-carboxylic acid is CC(C)COc1cccc2occ(C(=O)O)c(=O)c12.
What is the InChIKey of 5-(2-methylpropoxy)-4-oxochromene-3-carboxylic acid?
The InChIKey is VYMRUWVXDWYGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O5/c1-8(2)6-18-10-4-3-5-11-12(10)13(15)9(7-19-11)14(16)17/h3-5,7-8H,6H2,1-2H3,(H,16,17).
What are the key properties of 5-(2-methylpropoxy)-4-oxochromene-3-carboxylic acid?
5-(2-methylpropoxy)-4-oxochromene-3-carboxylic acid has a molecular weight of 262.26 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropoxy)-4-oxochromene-3-carboxylic acid is sourced from PubChem (CID 46703349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).