3-[(4-chlorophenyl)diazenyl]-4-hydroxy-6,7-dimethylchromen-2-one

C17H13ClN2O3 — CID 137098680

IUPAC3-[(4-chlorophenyl)diazenyl]-4-hydroxy-6,7-dimethylchromen-2-one
SMILESCc1cc2oc(=O)c(/N=N/c3ccc(Cl)cc3)c(O)c2cc1C
InChIInChI=1S/C17H13ClN2O3/c1-9-7-13-14(8-10(9)2)23-17(22)15(16(13)21)20-19-12-5-3-11(18)4-6-12/h3-8,21H,1-2H3/b20-19+
InChIKeyYIUQQTCAFMYREI-FMQUCBEESA-N
MW328.76 g/mol
LogP5.18
Rot. Bonds2

About 3-[(4-chlorophenyl)diazenyl]-4-hydroxy-6,7-dimethylchromen-2-one

3-[(4-chlorophenyl)diazenyl]-4-hydroxy-6,7-dimethylchromen-2-one (PubChem CID 137098680) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)diazenyl]-4-hydroxy-6,7-dimethylchromen-2-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)diazenyl]-4-hydroxy-6,7-dimethylchromen-2-one
PubChem CID137098680
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name3-[(4-chlorophenyl)diazenyl]-4-hydroxy-6,7-dimethylchromen-2-one
SMILESCc1cc2oc(=O)c(/N=N/c3ccc(Cl)cc3)c(O)c2cc1C
InChIInChI=1S/C17H13ClN2O3/c1-9-7-13-14(8-10(9)2)23-17(22)15(16(13)21)20-19-12-5-3-11(18)4-6-12/h3-8,21H,1-2H3/b20-19+
InChIKeyYIUQQTCAFMYREI-FMQUCBEESA-N
XLogP5.18
TPSA75.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.76
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-3-[(4-hydroxy-6,7-dimethyl-2-oxochromen-3-yl)methyl]-6,7-dimethylchromen-2-one
CID 54736430
3-[(3-chlorophenyl)diazenyl]-4-hydroxy-6,8-dimethylchromen-2-one
CID 137098687
4,6-dihydroxy-3,7-dimethylchromen-2-one
CID 102497049
7-hydroxy-3-[(4-methoxyphenyl)diazenyl]-4-methylchromen-2-one
CID 135456776
4-hydroxy-3-[1-(4-hydroxy-6,7-dimethyl-2-oxochromen-3-yl)-2-nitrosoethyl]-6,7-dimethylchromen-2-one
CID 91298838
3,4,7-trihydroxy-6-methylchromen-2-one
CID 156582420
ethyl 6-[(4-chlorophenyl)diazenyl]-2-oxochromene-3-carboxylate
CID 132538049
4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)chromen-2-one
CID 54736423
3-[(4-chlorophenyl)iminomethyl]-4,7-dihydroxychromen-2-one
CID 137304097
1-(3-hydroxy-5,6-dimethyl-1-benzofuran-2-yl)ethanone
CID 90143254
6,7-dihydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one
CID 135471441
6-chloro-4-hydroxy-3-(2-hydroxyethyl)chromen-2-one
CID 54678507

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)diazenyl]-4-hydroxy-6,7-dimethylchromen-2-one?
The IUPAC name of 3-[(4-chlorophenyl)diazenyl]-4-hydroxy-6,7-dimethylchromen-2-one (CID 137098680) is 3-[(4-chlorophenyl)diazenyl]-4-hydroxy-6,7-dimethylchromen-2-one.
What is the SMILES notation for 3-[(4-chlorophenyl)diazenyl]-4-hydroxy-6,7-dimethylchromen-2-one?
The canonical SMILES for 3-[(4-chlorophenyl)diazenyl]-4-hydroxy-6,7-dimethylchromen-2-one is Cc1cc2oc(=O)c(/N=N/c3ccc(Cl)cc3)c(O)c2cc1C.
What is the InChIKey of 3-[(4-chlorophenyl)diazenyl]-4-hydroxy-6,7-dimethylchromen-2-one?
The InChIKey is YIUQQTCAFMYREI-FMQUCBEESA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-9-7-13-14(8-10(9)2)23-17(22)15(16(13)21)20-19-12-5-3-11(18)4-6-12/h3-8,21H,1-2H3/b20-19+.
What are the key properties of 3-[(4-chlorophenyl)diazenyl]-4-hydroxy-6,7-dimethylchromen-2-one?
3-[(4-chlorophenyl)diazenyl]-4-hydroxy-6,7-dimethylchromen-2-one has a molecular weight of 328.76 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)diazenyl]-4-hydroxy-6,7-dimethylchromen-2-one is sourced from PubChem (CID 137098680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).