6,7-dichloro-4-hydroxychromen-2-one

C9H4Cl2O3 — CID 54738246

IUPAC6,7-dichloro-4-hydroxychromen-2-one
SMILESO=c1cc(O)c2cc(Cl)c(Cl)cc2o1
InChIInChI=1S/C9H4Cl2O3/c10-5-1-4-7(12)3-9(13)14-8(4)2-6(5)11/h1-3,12H
InChIKeyZNGOQLZHFHRBBZ-UHFFFAOYSA-N
MW231.03 g/mol
LogP2.81
Rot. Bonds

About 6,7-dichloro-4-hydroxychromen-2-one

6,7-dichloro-4-hydroxychromen-2-one (PubChem CID 54738246) has the molecular formula C9H4Cl2O3 and a molecular weight of 231.03 g/mol. Its IUPAC name is 6,7-dichloro-4-hydroxychromen-2-one.

Molecular Properties

Compound Name6,7-dichloro-4-hydroxychromen-2-one
PubChem CID54738246
Molecular FormulaC9H4Cl2O3
Molecular Weight231.03 g/mol
Exact Mass229.95
IUPAC Name6,7-dichloro-4-hydroxychromen-2-one
SMILESO=c1cc(O)c2cc(Cl)c(Cl)cc2o1
InChIInChI=1S/C9H4Cl2O3/c10-5-1-4-7(12)3-9(13)14-8(4)2-6(5)11/h1-3,12H
InChIKeyZNGOQLZHFHRBBZ-UHFFFAOYSA-N
XLogP2.81
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.03
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-4-hydroxy-7-methoxychromen-2-one
CID 57363219
7-ethyl-4-hydroxy-6-methylchromen-2-one
CID 54732994
4-hydroxy-7-(methylamino)chromen-2-one
CID 54690209
6,7-dichloro-4-(2,6-dichlorophenoxy)chromen-2-one
CID 86186569
6-bromo-8-chloro-4-hydroxychromen-2-one
CID 57372248
6-tert-butyl-4-hydroxychromen-2-one
CID 54694576
7-bromo-4,6-dichlorochromen-2-one
CID 177310536
7-chloro-4-hydroxybenzo[h]chromen-2-one
CID 131865681
[(1S)-1-carboxy-2-(6-chloro-7-hydroxy-2-oxochromen-4-yl)ethyl]azanium
CID 102072648
methyl 4-hydroxy-2-oxochromene-6-carboxylate
CID 54690204
4-hydroxy-7-prop-2-enylchromen-2-one
CID 141309606
6-chloro-7-hydroxy-2,3-dimethylchromen-4-one
CID 15482447

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-4-hydroxychromen-2-one?
The IUPAC name of 6,7-dichloro-4-hydroxychromen-2-one (CID 54738246) is 6,7-dichloro-4-hydroxychromen-2-one.
What is the SMILES notation for 6,7-dichloro-4-hydroxychromen-2-one?
The canonical SMILES for 6,7-dichloro-4-hydroxychromen-2-one is O=c1cc(O)c2cc(Cl)c(Cl)cc2o1.
What is the InChIKey of 6,7-dichloro-4-hydroxychromen-2-one?
The InChIKey is ZNGOQLZHFHRBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2O3/c10-5-1-4-7(12)3-9(13)14-8(4)2-6(5)11/h1-3,12H.
What are the key properties of 6,7-dichloro-4-hydroxychromen-2-one?
6,7-dichloro-4-hydroxychromen-2-one has a molecular weight of 231.03 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-4-hydroxychromen-2-one is sourced from PubChem (CID 54738246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).