[4-(dimethylaminodiazenyl)phenyl]-(3-hydroxyphenyl)methanone

C15H15N3O2 — CID 122463860

IUPAC[4-(dimethylaminodiazenyl)phenyl]-(3-hydroxyphenyl)methanone
SMILESCN(C)/N=N/c1ccc(C(=O)c2cccc(O)c2)cc1
InChIInChI=1S/C15H15N3O2/c1-18(2)17-16-13-8-6-11(7-9-13)15(20)12-4-3-5-14(19)10-12/h3-10,19H,1-2H3/b17-16+
InChIKeyKIXFIGNDBAFFAX-WUKNDPDISA-N
MW269.30 g/mol
LogP3.18
Rot. Bonds4

About [4-(dimethylaminodiazenyl)phenyl]-(3-hydroxyphenyl)methanone

[4-(dimethylaminodiazenyl)phenyl]-(3-hydroxyphenyl)methanone (PubChem CID 122463860) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is [4-(dimethylaminodiazenyl)phenyl]-(3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-(dimethylaminodiazenyl)phenyl]-(3-hydroxyphenyl)methanone
PubChem CID122463860
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name[4-(dimethylaminodiazenyl)phenyl]-(3-hydroxyphenyl)methanone
SMILESCN(C)/N=N/c1ccc(C(=O)c2cccc(O)c2)cc1
InChIInChI=1S/C15H15N3O2/c1-18(2)17-16-13-8-6-11(7-9-13)15(20)12-4-3-5-14(19)10-12/h3-10,19H,1-2H3/b17-16+
InChIKeyKIXFIGNDBAFFAX-WUKNDPDISA-N
XLogP3.18
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 160536910
CID 160536910
acetic acid;(3-hydroxyphenyl)-[4-(4-hydroxyphenyl)phenyl]methanone
CID 86741070
(3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone
CID 19931688
(3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(4-hydroxyphenyl)methanone
CID 19931686
[4-(4-hydroxyphenoxy)phenyl]-(3-hydroxyphenyl)methanone
CID 86171733
(3,4-dichlorophenyl)-(3-hydroxyphenyl)methanone
CID 12639783
4-[(3-hydroxyphenyl)diazenyl]benzoic acid
CID 101366550
[3-[(4-methylphenyl)diazenyl]phenyl]-phenylmethanone
CID 134953272
1,2-bis(3-hydroxyphenyl)ethane-1,2-dione
CID 13158606
(4-hydroxyphenyl)-(3-methylphenyl)methanone
CID 22132621
4-[(Z)-2-[4-(dimethylaminodiazenyl)phenyl]ethenyl]phenol
CID 174506798
[4-(3-fluoro-4-hydroxyphenyl)phenyl]-(3-hydroxyphenyl)methanone
CID 56969692

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylaminodiazenyl)phenyl]-(3-hydroxyphenyl)methanone?
The IUPAC name of [4-(dimethylaminodiazenyl)phenyl]-(3-hydroxyphenyl)methanone (CID 122463860) is [4-(dimethylaminodiazenyl)phenyl]-(3-hydroxyphenyl)methanone.
What is the SMILES notation for [4-(dimethylaminodiazenyl)phenyl]-(3-hydroxyphenyl)methanone?
The canonical SMILES for [4-(dimethylaminodiazenyl)phenyl]-(3-hydroxyphenyl)methanone is CN(C)/N=N/c1ccc(C(=O)c2cccc(O)c2)cc1.
What is the InChIKey of [4-(dimethylaminodiazenyl)phenyl]-(3-hydroxyphenyl)methanone?
The InChIKey is KIXFIGNDBAFFAX-WUKNDPDISA-N. The full InChI is InChI=1S/C15H15N3O2/c1-18(2)17-16-13-8-6-11(7-9-13)15(20)12-4-3-5-14(19)10-12/h3-10,19H,1-2H3/b17-16+.
What are the key properties of [4-(dimethylaminodiazenyl)phenyl]-(3-hydroxyphenyl)methanone?
[4-(dimethylaminodiazenyl)phenyl]-(3-hydroxyphenyl)methanone has a molecular weight of 269.30 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylaminodiazenyl)phenyl]-(3-hydroxyphenyl)methanone is sourced from PubChem (CID 122463860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).