6-[(10-hydroxyanthracen-9-yl)diazenyl]chromen-2-one

C23H14N2O3 — CID 171393866

IUPAC6-[(10-hydroxyanthracen-9-yl)diazenyl]chromen-2-one
SMILESO=c1ccc2cc(/N=N/c3c4ccccc4c(O)c4ccccc34)ccc2o1
InChIInChI=1S/C23H14N2O3/c26-21-12-9-14-13-15(10-11-20(14)28-21)24-25-22-16-5-1-3-7-18(16)23(27)19-8-4-2-6-17(19)22/h1-13,27H/b25-24+
InChIKeyRYTRGRTZJHMDOC-OCOZRVBESA-N
MW366.38 g/mol
LogP6.22
Rot. Bonds2

About 6-[(10-hydroxyanthracen-9-yl)diazenyl]chromen-2-one

6-[(10-hydroxyanthracen-9-yl)diazenyl]chromen-2-one (PubChem CID 171393866) has the molecular formula C23H14N2O3 and a molecular weight of 366.38 g/mol. Its IUPAC name is 6-[(10-hydroxyanthracen-9-yl)diazenyl]chromen-2-one.

Molecular Properties

Compound Name6-[(10-hydroxyanthracen-9-yl)diazenyl]chromen-2-one
PubChem CID171393866
Molecular FormulaC23H14N2O3
Molecular Weight366.38 g/mol
Exact Mass366.10
IUPAC Name6-[(10-hydroxyanthracen-9-yl)diazenyl]chromen-2-one
SMILESO=c1ccc2cc(/N=N/c3c4ccccc4c(O)c4ccccc34)ccc2o1
InChIInChI=1S/C23H14N2O3/c26-21-12-9-14-13-15(10-11-20(14)28-21)24-25-22-16-5-1-3-7-18(16)23(27)19-8-4-2-6-17(19)22/h1-13,27H/b25-24+
InChIKeyRYTRGRTZJHMDOC-OCOZRVBESA-N
XLogP6.22
TPSA75.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.38
LogP ≤ 56.22
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(10-hydroxyanthracen-9-yl)diazenyl]chromen-2-one?
The IUPAC name of 6-[(10-hydroxyanthracen-9-yl)diazenyl]chromen-2-one (CID 171393866) is 6-[(10-hydroxyanthracen-9-yl)diazenyl]chromen-2-one.
What is the SMILES notation for 6-[(10-hydroxyanthracen-9-yl)diazenyl]chromen-2-one?
The canonical SMILES for 6-[(10-hydroxyanthracen-9-yl)diazenyl]chromen-2-one is O=c1ccc2cc(/N=N/c3c4ccccc4c(O)c4ccccc34)ccc2o1.
What is the InChIKey of 6-[(10-hydroxyanthracen-9-yl)diazenyl]chromen-2-one?
The InChIKey is RYTRGRTZJHMDOC-OCOZRVBESA-N. The full InChI is InChI=1S/C23H14N2O3/c26-21-12-9-14-13-15(10-11-20(14)28-21)24-25-22-16-5-1-3-7-18(16)23(27)19-8-4-2-6-17(19)22/h1-13,27H/b25-24+.
What are the key properties of 6-[(10-hydroxyanthracen-9-yl)diazenyl]chromen-2-one?
6-[(10-hydroxyanthracen-9-yl)diazenyl]chromen-2-one has a molecular weight of 366.38 g/mol, XLogP of 6.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(10-hydroxyanthracen-9-yl)diazenyl]chromen-2-one is sourced from PubChem (CID 171393866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).