7-(hydroxymethyl)-2-oxochromene-3-carboxylic acid

C11H8O5 — CID 89307661

IUPAC7-(hydroxymethyl)-2-oxochromene-3-carboxylic acid
SMILESO=C(O)c1cc2ccc(CO)cc2oc1=O
InChIInChI=1S/C11H8O5/c12-5-6-1-2-7-4-8(10(13)14)11(15)16-9(7)3-6/h1-4,12H,5H2,(H,13,14)
InChIKeyFCVDZLVLSWXSQR-UHFFFAOYSA-N
MW220.18 g/mol
LogP0.98
Rot. Bonds2

About 7-(hydroxymethyl)-2-oxochromene-3-carboxylic acid

7-(hydroxymethyl)-2-oxochromene-3-carboxylic acid (PubChem CID 89307661) has the molecular formula C11H8O5 and a molecular weight of 220.18 g/mol. Its IUPAC name is 7-(hydroxymethyl)-2-oxochromene-3-carboxylic acid.

Molecular Properties

Compound Name7-(hydroxymethyl)-2-oxochromene-3-carboxylic acid
PubChem CID89307661
Molecular FormulaC11H8O5
Molecular Weight220.18 g/mol
Exact Mass220.04
IUPAC Name7-(hydroxymethyl)-2-oxochromene-3-carboxylic acid
SMILESO=C(O)c1cc2ccc(CO)cc2oc1=O
InChIInChI=1S/C11H8O5/c12-5-6-1-2-7-4-8(10(13)14)11(15)16-9(7)3-6/h1-4,12H,5H2,(H,13,14)
InChIKeyFCVDZLVLSWXSQR-UHFFFAOYSA-N
XLogP0.98
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-(hydroxymethyl)-2-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

2-oxochromene-3-carboxylic acid
CID 161011590
7-(diethylamino)-2-oxochromene-3-carboxylic acid
CID 87060588
6-chloro-7-(hydroxymethyl)-2-oxochromene-3-carboxylic acid
CID 89307657
2-oxobenzo[g]chromene-3-carboxylic acid
CID 11345462
7-[methyl(naphthalen-2-ylmethyl)amino]-2-oxochromene-3-carboxylic acid
CID 121297944
(2-phenyl-1-benzofuran-6-yl)methanol
CID 19840311
2-oxo-7-(trifluoromethylsulfonyloxy)chromene-3-carboxylic acid
CID 22134873
7-morpholin-4-yl-2-oxochromene-3-carboxylic acid
CID 3469110
7-octoxy-2-oxochromene-3-carboxylic acid
CID 21182395
2-oxochromene-3,6-dicarboxylic acid
CID 22966
7-cyclobutyloxy-2-oxochromene-3-carboxylic acid
CID 166609266
N-[4-(hydroxymethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23661443

Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-2-oxochromene-3-carboxylic acid?
The IUPAC name of 7-(hydroxymethyl)-2-oxochromene-3-carboxylic acid (CID 89307661) is 7-(hydroxymethyl)-2-oxochromene-3-carboxylic acid.
What is the SMILES notation for 7-(hydroxymethyl)-2-oxochromene-3-carboxylic acid?
The canonical SMILES for 7-(hydroxymethyl)-2-oxochromene-3-carboxylic acid is O=C(O)c1cc2ccc(CO)cc2oc1=O.
What is the InChIKey of 7-(hydroxymethyl)-2-oxochromene-3-carboxylic acid?
The InChIKey is FCVDZLVLSWXSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O5/c12-5-6-1-2-7-4-8(10(13)14)11(15)16-9(7)3-6/h1-4,12H,5H2,(H,13,14).
What are the key properties of 7-(hydroxymethyl)-2-oxochromene-3-carboxylic acid?
7-(hydroxymethyl)-2-oxochromene-3-carboxylic acid has a molecular weight of 220.18 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-2-oxochromene-3-carboxylic acid is sourced from PubChem (CID 89307661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).