4-oxo-2-phenyl-2,3-dihydrochromene-6-carboxylic acid

C16H12O4 — CID 5270553

IUPAC4-oxo-2-phenyl-2,3-dihydrochromene-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)CC(c1ccccc1)O2
InChIInChI=1S/C16H12O4/c17-13-9-15(10-4-2-1-3-5-10)20-14-7-6-11(16(18)19)8-12(13)14/h1-8,15H,9H2,(H,18,19)
InChIKeyXQJQANJFMQZQGF-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.09
Rot. Bonds2

About 4-oxo-2-phenyl-2,3-dihydrochromene-6-carboxylic acid

4-oxo-2-phenyl-2,3-dihydrochromene-6-carboxylic acid (PubChem CID 5270553) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 4-oxo-2-phenyl-2,3-dihydrochromene-6-carboxylic acid.

Molecular Properties

Compound Name4-oxo-2-phenyl-2,3-dihydrochromene-6-carboxylic acid
PubChem CID5270553
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name4-oxo-2-phenyl-2,3-dihydrochromene-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)CC(c1ccccc1)O2
InChIInChI=1S/C16H12O4/c17-13-9-15(10-4-2-1-3-5-10)20-14-7-6-11(16(18)19)8-12(13)14/h1-8,15H,9H2,(H,18,19)
InChIKeyXQJQANJFMQZQGF-UHFFFAOYSA-N
XLogP3.09
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-phenyl-2,3-dihydrochromene-6-carboxylic acid?
The IUPAC name of 4-oxo-2-phenyl-2,3-dihydrochromene-6-carboxylic acid (CID 5270553) is 4-oxo-2-phenyl-2,3-dihydrochromene-6-carboxylic acid.
What is the SMILES notation for 4-oxo-2-phenyl-2,3-dihydrochromene-6-carboxylic acid?
The canonical SMILES for 4-oxo-2-phenyl-2,3-dihydrochromene-6-carboxylic acid is O=C(O)c1ccc2c(c1)C(=O)CC(c1ccccc1)O2.
What is the InChIKey of 4-oxo-2-phenyl-2,3-dihydrochromene-6-carboxylic acid?
The InChIKey is XQJQANJFMQZQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c17-13-9-15(10-4-2-1-3-5-10)20-14-7-6-11(16(18)19)8-12(13)14/h1-8,15H,9H2,(H,18,19).
What are the key properties of 4-oxo-2-phenyl-2,3-dihydrochromene-6-carboxylic acid?
4-oxo-2-phenyl-2,3-dihydrochromene-6-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-phenyl-2,3-dihydrochromene-6-carboxylic acid is sourced from PubChem (CID 5270553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).