7-hydroxy-3-[(4-methoxyphenyl)diazenyl]-4-methylchromen-2-one

C17H14N2O4 — CID 135456776

IUPAC7-hydroxy-3-[(4-methoxyphenyl)diazenyl]-4-methylchromen-2-one
SMILESCOc1ccc(/N=N/c2c(C)c3ccc(O)cc3oc2=O)cc1
InChIInChI=1S/C17H14N2O4/c1-10-14-8-5-12(20)9-15(14)23-17(21)16(10)19-18-11-3-6-13(22-2)7-4-11/h3-9,20H,1-2H3/b19-18+
InChIKeyUKNVEYVKTPAVNW-VHEBQXMUSA-N
MW310.31 g/mol
LogP4.23
Rot. Bonds3

About 7-hydroxy-3-[(4-methoxyphenyl)diazenyl]-4-methylchromen-2-one

7-hydroxy-3-[(4-methoxyphenyl)diazenyl]-4-methylchromen-2-one (PubChem CID 135456776) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 7-hydroxy-3-[(4-methoxyphenyl)diazenyl]-4-methylchromen-2-one.

Molecular Properties

Compound Name7-hydroxy-3-[(4-methoxyphenyl)diazenyl]-4-methylchromen-2-one
PubChem CID135456776
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name7-hydroxy-3-[(4-methoxyphenyl)diazenyl]-4-methylchromen-2-one
SMILESCOc1ccc(/N=N/c2c(C)c3ccc(O)cc3oc2=O)cc1
InChIInChI=1S/C17H14N2O4/c1-10-14-8-5-12(20)9-15(14)23-17(21)16(10)19-18-11-3-6-13(22-2)7-4-11/h3-9,20H,1-2H3/b19-18+
InChIKeyUKNVEYVKTPAVNW-VHEBQXMUSA-N
XLogP4.23
TPSA84.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

3-(2,5-dimethoxyphenyl)-7-hydroxy-4-methylchromen-2-one
CID 6217099
9-hydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one
CID 131750884
7-hydroxy-2-(4-methoxyphenyl)-3-methylchromen-4-one
CID 139992853
7-hydroxy-3-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-4-methylchromen-2-one
CID 10473941
7-hydroxy-4-methyl-3-phosphanylchromen-2-one
CID 88515701
7-hydroxy-2-[(4-methoxyphenyl)methyl]chromen-4-one
CID 10708015
3-hydroxy-8,10-dimethoxybenzo[c]chromen-6-one
CID 169439551
7-hydroxy-3-(4-hydroxyphenyl)-4-methylchromen-2-one
CID 10221024
4-hydroxy-3-[(4-hydroxy-7-methyl-2-oxochromen-3-yl)-(4-methoxyphenyl)methyl]-7-methylchromen-2-one
CID 54704455
N-[(2,4-dimethoxyphenyl)methyl]-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 6236159
(4,7-dihydroxy-2-oxochromen-3-yl) acetate
CID 54735281
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetate
CID 6921838

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-[(4-methoxyphenyl)diazenyl]-4-methylchromen-2-one?
The IUPAC name of 7-hydroxy-3-[(4-methoxyphenyl)diazenyl]-4-methylchromen-2-one (CID 135456776) is 7-hydroxy-3-[(4-methoxyphenyl)diazenyl]-4-methylchromen-2-one.
What is the SMILES notation for 7-hydroxy-3-[(4-methoxyphenyl)diazenyl]-4-methylchromen-2-one?
The canonical SMILES for 7-hydroxy-3-[(4-methoxyphenyl)diazenyl]-4-methylchromen-2-one is COc1ccc(/N=N/c2c(C)c3ccc(O)cc3oc2=O)cc1.
What is the InChIKey of 7-hydroxy-3-[(4-methoxyphenyl)diazenyl]-4-methylchromen-2-one?
The InChIKey is UKNVEYVKTPAVNW-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-10-14-8-5-12(20)9-15(14)23-17(21)16(10)19-18-11-3-6-13(22-2)7-4-11/h3-9,20H,1-2H3/b19-18+.
What are the key properties of 7-hydroxy-3-[(4-methoxyphenyl)diazenyl]-4-methylchromen-2-one?
7-hydroxy-3-[(4-methoxyphenyl)diazenyl]-4-methylchromen-2-one has a molecular weight of 310.31 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-[(4-methoxyphenyl)diazenyl]-4-methylchromen-2-one is sourced from PubChem (CID 135456776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).