4-hydroxy-8-methyl-3-phenyldiazenylchromen-2-one

C16H12N2O3 — CID 135448454

IUPAC4-hydroxy-8-methyl-3-phenyldiazenylchromen-2-one
SMILESCc1cccc2c(O)c(/N=N/c3ccccc3)c(=O)oc12
InChIInChI=1S/C16H12N2O3/c1-10-6-5-9-12-14(19)13(16(20)21-15(10)12)18-17-11-7-3-2-4-8-11/h2-9,19H,1H3/b18-17+
InChIKeyOSUUEXYRPFDANV-ISLYRVAYSA-N
MW280.28 g/mol
LogP4.22
Rot. Bonds2

About 4-hydroxy-8-methyl-3-phenyldiazenylchromen-2-one

4-hydroxy-8-methyl-3-phenyldiazenylchromen-2-one (PubChem CID 135448454) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 4-hydroxy-8-methyl-3-phenyldiazenylchromen-2-one.

Molecular Properties

Compound Name4-hydroxy-8-methyl-3-phenyldiazenylchromen-2-one
PubChem CID135448454
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name4-hydroxy-8-methyl-3-phenyldiazenylchromen-2-one
SMILESCc1cccc2c(O)c(/N=N/c3ccccc3)c(=O)oc12
InChIInChI=1S/C16H12N2O3/c1-10-6-5-9-12-14(19)13(16(20)21-15(10)12)18-17-11-7-3-2-4-8-11/h2-9,19H,1H3/b18-17+
InChIKeyOSUUEXYRPFDANV-ISLYRVAYSA-N
XLogP4.22
TPSA75.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 54.22
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-8-methyl-3-phenyldiazenylchromen-2-one?
The IUPAC name of 4-hydroxy-8-methyl-3-phenyldiazenylchromen-2-one (CID 135448454) is 4-hydroxy-8-methyl-3-phenyldiazenylchromen-2-one.
What is the SMILES notation for 4-hydroxy-8-methyl-3-phenyldiazenylchromen-2-one?
The canonical SMILES for 4-hydroxy-8-methyl-3-phenyldiazenylchromen-2-one is Cc1cccc2c(O)c(/N=N/c3ccccc3)c(=O)oc12.
What is the InChIKey of 4-hydroxy-8-methyl-3-phenyldiazenylchromen-2-one?
The InChIKey is OSUUEXYRPFDANV-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-10-6-5-9-12-14(19)13(16(20)21-15(10)12)18-17-11-7-3-2-4-8-11/h2-9,19H,1H3/b18-17+.
What are the key properties of 4-hydroxy-8-methyl-3-phenyldiazenylchromen-2-one?
4-hydroxy-8-methyl-3-phenyldiazenylchromen-2-one has a molecular weight of 280.28 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-8-methyl-3-phenyldiazenylchromen-2-one is sourced from PubChem (CID 135448454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).