(2R)-6-chloro-4-oxo-2,3-dihydrochromene-2-carboxylic acid

C10H7ClO4 — CID 42220830

IUPAC(2R)-6-chloro-4-oxo-2,3-dihydrochromene-2-carboxylic acid
SMILESO=C1C[C@H](C(=O)O)Oc2ccc(Cl)cc21
InChIInChI=1S/C10H7ClO4/c11-5-1-2-8-6(3-5)7(12)4-9(15-8)10(13)14/h1-3,9H,4H2,(H,13,14)/t9-/m1/s1
InChIKeyRJNYIXPGUIVGJT-SECBINFHSA-N
MW226.61 g/mol
LogP1.76
Rot. Bonds1

About (2R)-6-chloro-4-oxo-2,3-dihydrochromene-2-carboxylic acid

(2R)-6-chloro-4-oxo-2,3-dihydrochromene-2-carboxylic acid (PubChem CID 42220830) has the molecular formula C10H7ClO4 and a molecular weight of 226.61 g/mol. Its IUPAC name is (2R)-6-chloro-4-oxo-2,3-dihydrochromene-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-6-chloro-4-oxo-2,3-dihydrochromene-2-carboxylic acid
PubChem CID42220830
Molecular FormulaC10H7ClO4
Molecular Weight226.61 g/mol
Exact Mass226.00
IUPAC Name(2R)-6-chloro-4-oxo-2,3-dihydrochromene-2-carboxylic acid
SMILESO=C1C[C@H](C(=O)O)Oc2ccc(Cl)cc21
InChIInChI=1S/C10H7ClO4/c11-5-1-2-8-6(3-5)7(12)4-9(15-8)10(13)14/h1-3,9H,4H2,(H,13,14)/t9-/m1/s1
InChIKeyRJNYIXPGUIVGJT-SECBINFHSA-N
XLogP1.76
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.61
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-6-chloro-4-oxo-2,3-dihydrochromene-2-carboxylic acid?
The IUPAC name of (2R)-6-chloro-4-oxo-2,3-dihydrochromene-2-carboxylic acid (CID 42220830) is (2R)-6-chloro-4-oxo-2,3-dihydrochromene-2-carboxylic acid.
What is the SMILES notation for (2R)-6-chloro-4-oxo-2,3-dihydrochromene-2-carboxylic acid?
The canonical SMILES for (2R)-6-chloro-4-oxo-2,3-dihydrochromene-2-carboxylic acid is O=C1C[C@H](C(=O)O)Oc2ccc(Cl)cc21.
What is the InChIKey of (2R)-6-chloro-4-oxo-2,3-dihydrochromene-2-carboxylic acid?
The InChIKey is RJNYIXPGUIVGJT-SECBINFHSA-N. The full InChI is InChI=1S/C10H7ClO4/c11-5-1-2-8-6(3-5)7(12)4-9(15-8)10(13)14/h1-3,9H,4H2,(H,13,14)/t9-/m1/s1.
What are the key properties of (2R)-6-chloro-4-oxo-2,3-dihydrochromene-2-carboxylic acid?
(2R)-6-chloro-4-oxo-2,3-dihydrochromene-2-carboxylic acid has a molecular weight of 226.61 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-chloro-4-oxo-2,3-dihydrochromene-2-carboxylic acid is sourced from PubChem (CID 42220830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).