2-(6-chloro-2-oxochromen-4-yl)oxyacetic acid

C11H7ClO5 — CID 170530315

IUPAC2-(6-chloro-2-oxochromen-4-yl)oxyacetic acid
SMILESO=C(O)COc1cc(=O)oc2ccc(Cl)cc12
InChIInChI=1S/C11H7ClO5/c12-6-1-2-8-7(3-6)9(4-11(15)17-8)16-5-10(13)14/h1-4H,5H2,(H,13,14)
InChIKeyLSOPWGSNAOPTCN-UHFFFAOYSA-N
MW254.62 g/mol
LogP1.91
Rot. Bonds3

About 2-(6-chloro-2-oxochromen-4-yl)oxyacetic acid

2-(6-chloro-2-oxochromen-4-yl)oxyacetic acid (PubChem CID 170530315) has the molecular formula C11H7ClO5 and a molecular weight of 254.62 g/mol. Its IUPAC name is 2-(6-chloro-2-oxochromen-4-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(6-chloro-2-oxochromen-4-yl)oxyacetic acid
PubChem CID170530315
Molecular FormulaC11H7ClO5
Molecular Weight254.62 g/mol
Exact Mass254.00
IUPAC Name2-(6-chloro-2-oxochromen-4-yl)oxyacetic acid
SMILESO=C(O)COc1cc(=O)oc2ccc(Cl)cc12
InChIInChI=1S/C11H7ClO5/c12-6-1-2-8-7(3-6)9(4-11(15)17-8)16-5-10(13)14/h1-4H,5H2,(H,13,14)
InChIKeyLSOPWGSNAOPTCN-UHFFFAOYSA-N
XLogP1.91
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.62
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-aminopentoxy)-6-chlorochromen-2-one
CID 11173576
6-chloro-4-(pyridin-2-ylmethoxy)chromen-2-one;2,2,2-trifluoroacetic acid
CID 87595691
N-[3-(6-chloro-2-oxochromen-4-yl)oxypropyl]pyridine-4-carboxamide
CID 11210558
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetic acid
CID 782909
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
6-chloro-4-hydroxychromen-2-one;6-chloro-4-(piperidin-3-ylmethoxy)chromen-2-one
CID 159214856
calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride
CID 173483555
4-(bromomethyl)-6-chlorochromen-2-one
CID 12936141
2-(2-acetyl-5-chlorophenoxy)acetic acid
CID 963906
6-chloro-4-[(2,4,6-tribromophenoxy)methyl]chromen-2-one
CID 25194314
2-(6-ethyl-4-methyl-2-oxochromen-7-yl)oxyacetic acid
CID 794317

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-oxochromen-4-yl)oxyacetic acid?
The IUPAC name of 2-(6-chloro-2-oxochromen-4-yl)oxyacetic acid (CID 170530315) is 2-(6-chloro-2-oxochromen-4-yl)oxyacetic acid.
What is the SMILES notation for 2-(6-chloro-2-oxochromen-4-yl)oxyacetic acid?
The canonical SMILES for 2-(6-chloro-2-oxochromen-4-yl)oxyacetic acid is O=C(O)COc1cc(=O)oc2ccc(Cl)cc12.
What is the InChIKey of 2-(6-chloro-2-oxochromen-4-yl)oxyacetic acid?
The InChIKey is LSOPWGSNAOPTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClO5/c12-6-1-2-8-7(3-6)9(4-11(15)17-8)16-5-10(13)14/h1-4H,5H2,(H,13,14).
What are the key properties of 2-(6-chloro-2-oxochromen-4-yl)oxyacetic acid?
2-(6-chloro-2-oxochromen-4-yl)oxyacetic acid has a molecular weight of 254.62 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-oxochromen-4-yl)oxyacetic acid is sourced from PubChem (CID 170530315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).