2-(4-chlorophenyl)-4-oxochromene-8-carboxylic acid;hydrochloride

C16H10Cl2O4 — CID 70487550

IUPAC2-(4-chlorophenyl)-4-oxochromene-8-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cccc2c(=O)cc(-c3ccc(Cl)cc3)oc12
InChIInChI=1S/C16H9ClO4.ClH/c17-10-6-4-9(5-7-10)14-8-13(18)11-2-1-3-12(16(19)20)15(11)21-14;/h1-8H,(H,19,20);1H
InChIKeyGQTGQMBOAXTBOH-UHFFFAOYSA-N
MW337.16 g/mol
LogP4.23
Rot. Bonds2

About 2-(4-chlorophenyl)-4-oxochromene-8-carboxylic acid;hydrochloride

2-(4-chlorophenyl)-4-oxochromene-8-carboxylic acid;hydrochloride (PubChem CID 70487550) has the molecular formula C16H10Cl2O4 and a molecular weight of 337.16 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-oxochromene-8-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-oxochromene-8-carboxylic acid;hydrochloride
PubChem CID70487550
Molecular FormulaC16H10Cl2O4
Molecular Weight337.16 g/mol
Exact Mass336.00
IUPAC Name2-(4-chlorophenyl)-4-oxochromene-8-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cccc2c(=O)cc(-c3ccc(Cl)cc3)oc12
InChIInChI=1S/C16H9ClO4.ClH/c17-10-6-4-9(5-7-10)14-8-13(18)11-2-1-3-12(16(19)20)15(11)21-14;/h1-8H,(H,19,20);1H
InChIKeyGQTGQMBOAXTBOH-UHFFFAOYSA-N
XLogP4.23
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-oxochromene-8-carboxylic acid;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-4-oxochromene-8-carboxylic acid;hydrochloride (CID 70487550) is 2-(4-chlorophenyl)-4-oxochromene-8-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-4-oxochromene-8-carboxylic acid;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-4-oxochromene-8-carboxylic acid;hydrochloride is Cl.O=C(O)c1cccc2c(=O)cc(-c3ccc(Cl)cc3)oc12.
What is the InChIKey of 2-(4-chlorophenyl)-4-oxochromene-8-carboxylic acid;hydrochloride?
The InChIKey is GQTGQMBOAXTBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClO4.ClH/c17-10-6-4-9(5-7-10)14-8-13(18)11-2-1-3-12(16(19)20)15(11)21-14;/h1-8H,(H,19,20);1H.
What are the key properties of 2-(4-chlorophenyl)-4-oxochromene-8-carboxylic acid;hydrochloride?
2-(4-chlorophenyl)-4-oxochromene-8-carboxylic acid;hydrochloride has a molecular weight of 337.16 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-oxochromene-8-carboxylic acid;hydrochloride is sourced from PubChem (CID 70487550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).