4-hydroxy-3-phenyldiazenylchromen-2-one

C15H10N2O3 — CID 135535934

IUPAC4-hydroxy-3-phenyldiazenylchromen-2-one
SMILESO=c1oc2ccccc2c(O)c1/N=N/c1ccccc1
InChIInChI=1S/C15H10N2O3/c18-14-11-8-4-5-9-12(11)20-15(19)13(14)17-16-10-6-2-1-3-7-10/h1-9,18H/b17-16+
InChIKeyICEHXJKEHAKBEE-WUKNDPDISA-N
MW266.26 g/mol
LogP3.91
Rot. Bonds2

About 4-hydroxy-3-phenyldiazenylchromen-2-one

4-hydroxy-3-phenyldiazenylchromen-2-one (PubChem CID 135535934) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 4-hydroxy-3-phenyldiazenylchromen-2-one.

Molecular Properties

Compound Name4-hydroxy-3-phenyldiazenylchromen-2-one
PubChem CID135535934
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name4-hydroxy-3-phenyldiazenylchromen-2-one
SMILESO=c1oc2ccccc2c(O)c1/N=N/c1ccccc1
InChIInChI=1S/C15H10N2O3/c18-14-11-8-4-5-9-12(11)20-15(19)13(14)17-16-10-6-2-1-3-7-10/h1-9,18H/b17-16+
InChIKeyICEHXJKEHAKBEE-WUKNDPDISA-N
XLogP3.91
TPSA75.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 53.91
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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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-phenyldiazenylchromen-2-one?
The IUPAC name of 4-hydroxy-3-phenyldiazenylchromen-2-one (CID 135535934) is 4-hydroxy-3-phenyldiazenylchromen-2-one.
What is the SMILES notation for 4-hydroxy-3-phenyldiazenylchromen-2-one?
The canonical SMILES for 4-hydroxy-3-phenyldiazenylchromen-2-one is O=c1oc2ccccc2c(O)c1/N=N/c1ccccc1.
What is the InChIKey of 4-hydroxy-3-phenyldiazenylchromen-2-one?
The InChIKey is ICEHXJKEHAKBEE-WUKNDPDISA-N. The full InChI is InChI=1S/C15H10N2O3/c18-14-11-8-4-5-9-12(11)20-15(19)13(14)17-16-10-6-2-1-3-7-10/h1-9,18H/b17-16+.
What are the key properties of 4-hydroxy-3-phenyldiazenylchromen-2-one?
4-hydroxy-3-phenyldiazenylchromen-2-one has a molecular weight of 266.26 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-phenyldiazenylchromen-2-one is sourced from PubChem (CID 135535934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).