2-(6-chloro-4-oxo-2,3-dihydrochromen-2-yl)acetic acid

C11H9ClO4 — CID 59766136

IUPAC2-(6-chloro-4-oxo-2,3-dihydrochromen-2-yl)acetic acid
SMILESO=C(O)CC1CC(=O)c2cc(Cl)ccc2O1
InChIInChI=1S/C11H9ClO4/c12-6-1-2-10-8(3-6)9(13)4-7(16-10)5-11(14)15/h1-3,7H,4-5H2,(H,14,15)
InChIKeyRKSUDCZDMDAJNF-UHFFFAOYSA-N
MW240.64 g/mol
LogP2.15
Rot. Bonds2

About 2-(6-chloro-4-oxo-2,3-dihydrochromen-2-yl)acetic acid

2-(6-chloro-4-oxo-2,3-dihydrochromen-2-yl)acetic acid (PubChem CID 59766136) has the molecular formula C11H9ClO4 and a molecular weight of 240.64 g/mol. Its IUPAC name is 2-(6-chloro-4-oxo-2,3-dihydrochromen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(6-chloro-4-oxo-2,3-dihydrochromen-2-yl)acetic acid
PubChem CID59766136
Molecular FormulaC11H9ClO4
Molecular Weight240.64 g/mol
Exact Mass240.02
IUPAC Name2-(6-chloro-4-oxo-2,3-dihydrochromen-2-yl)acetic acid
SMILESO=C(O)CC1CC(=O)c2cc(Cl)ccc2O1
InChIInChI=1S/C11H9ClO4/c12-6-1-2-10-8(3-6)9(13)4-7(16-10)5-11(14)15/h1-3,7H,4-5H2,(H,14,15)
InChIKeyRKSUDCZDMDAJNF-UHFFFAOYSA-N
XLogP2.15
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.64
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-oxo-2,3-dihydrochromen-2-yl)acetic acid?
The IUPAC name of 2-(6-chloro-4-oxo-2,3-dihydrochromen-2-yl)acetic acid (CID 59766136) is 2-(6-chloro-4-oxo-2,3-dihydrochromen-2-yl)acetic acid.
What is the SMILES notation for 2-(6-chloro-4-oxo-2,3-dihydrochromen-2-yl)acetic acid?
The canonical SMILES for 2-(6-chloro-4-oxo-2,3-dihydrochromen-2-yl)acetic acid is O=C(O)CC1CC(=O)c2cc(Cl)ccc2O1.
What is the InChIKey of 2-(6-chloro-4-oxo-2,3-dihydrochromen-2-yl)acetic acid?
The InChIKey is RKSUDCZDMDAJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO4/c12-6-1-2-10-8(3-6)9(13)4-7(16-10)5-11(14)15/h1-3,7H,4-5H2,(H,14,15).
What are the key properties of 2-(6-chloro-4-oxo-2,3-dihydrochromen-2-yl)acetic acid?
2-(6-chloro-4-oxo-2,3-dihydrochromen-2-yl)acetic acid has a molecular weight of 240.64 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-oxo-2,3-dihydrochromen-2-yl)acetic acid is sourced from PubChem (CID 59766136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).