6-chloro-4-hydroxy-7-methoxychromen-2-one

C10H7ClO4 — CID 57363219

IUPAC6-chloro-4-hydroxy-7-methoxychromen-2-one
SMILESCOc1cc2oc(=O)cc(O)c2cc1Cl
InChIInChI=1S/C10H7ClO4/c1-14-9-4-8-5(2-6(9)11)7(12)3-10(13)15-8/h2-4,12H,1H3
InChIKeyNNLNQUFCJQTEOD-UHFFFAOYSA-N
MW226.61 g/mol
LogP2.16
Rot. Bonds1

About 6-chloro-4-hydroxy-7-methoxychromen-2-one

6-chloro-4-hydroxy-7-methoxychromen-2-one (PubChem CID 57363219) has the molecular formula C10H7ClO4 and a molecular weight of 226.61 g/mol. Its IUPAC name is 6-chloro-4-hydroxy-7-methoxychromen-2-one.

Molecular Properties

Compound Name6-chloro-4-hydroxy-7-methoxychromen-2-one
PubChem CID57363219
Molecular FormulaC10H7ClO4
Molecular Weight226.61 g/mol
Exact Mass226.00
IUPAC Name6-chloro-4-hydroxy-7-methoxychromen-2-one
SMILESCOc1cc2oc(=O)cc(O)c2cc1Cl
InChIInChI=1S/C10H7ClO4/c1-14-9-4-8-5(2-6(9)11)7(12)3-10(13)15-8/h2-4,12H,1H3
InChIKeyNNLNQUFCJQTEOD-UHFFFAOYSA-N
XLogP2.16
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.61
LogP ≤ 52.16
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

6,7-dichloro-4-hydroxychromen-2-one
CID 54738246
4-[[bis(prop-2-enyl)amino]methyl]-6-chloro-7-methoxychromen-2-one
CID 51360501
4-(chloromethyl)-6,7-dimethoxychromen-2-one
CID 12070149
4-ethyl-7-hydroxy-6-methoxychromen-2-one
CID 119087961
4-(4-hydroxy-3-methoxyphenyl)-6,7-dimethoxychromen-2-one
CID 45276754
4-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxychromen-2-one
CID 45276755
2-(6,7-dimethoxy-2-oxochromen-4-yl)acetate
CID 25272422
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetic acid
CID 782909
7-fluoro-1-hydroxy-8-methoxybenzo[f]chromen-3-one
CID 164736963
4-hydroxy-7-methoxy-8-methylchromen-2-one
CID 54728807
methyl 4-hydroxy-2-oxochromene-6-carboxylate
CID 54690204
6-chloro-7-(2-chloroprop-2-enoxy)-4-ethylchromen-2-one
CID 805749

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-hydroxy-7-methoxychromen-2-one?
The IUPAC name of 6-chloro-4-hydroxy-7-methoxychromen-2-one (CID 57363219) is 6-chloro-4-hydroxy-7-methoxychromen-2-one.
What is the SMILES notation for 6-chloro-4-hydroxy-7-methoxychromen-2-one?
The canonical SMILES for 6-chloro-4-hydroxy-7-methoxychromen-2-one is COc1cc2oc(=O)cc(O)c2cc1Cl.
What is the InChIKey of 6-chloro-4-hydroxy-7-methoxychromen-2-one?
The InChIKey is NNLNQUFCJQTEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO4/c1-14-9-4-8-5(2-6(9)11)7(12)3-10(13)15-8/h2-4,12H,1H3.
What are the key properties of 6-chloro-4-hydroxy-7-methoxychromen-2-one?
6-chloro-4-hydroxy-7-methoxychromen-2-one has a molecular weight of 226.61 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-hydroxy-7-methoxychromen-2-one is sourced from PubChem (CID 57363219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).