2-methyl-4-phenyldiazenylbenzene-1,3-diol

C13H12N2O2 — CID 151351632

IUPAC2-methyl-4-phenyldiazenylbenzene-1,3-diol
SMILESCc1c(O)ccc(/N=N/c2ccccc2)c1O
InChIInChI=1S/C13H12N2O2/c1-9-12(16)8-7-11(13(9)17)15-14-10-5-3-2-4-6-10/h2-8,16-17H,1H3/b15-14+
InChIKeyOMPLFXJOJWIDRL-CCEZHUSRSA-N
MW228.25 g/mol
LogP3.82
Rot. Bonds2

About 2-methyl-4-phenyldiazenylbenzene-1,3-diol

2-methyl-4-phenyldiazenylbenzene-1,3-diol (PubChem CID 151351632) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-methyl-4-phenyldiazenylbenzene-1,3-diol.

Molecular Properties

Compound Name2-methyl-4-phenyldiazenylbenzene-1,3-diol
PubChem CID151351632
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name2-methyl-4-phenyldiazenylbenzene-1,3-diol
SMILESCc1c(O)ccc(/N=N/c2ccccc2)c1O
InChIInChI=1S/C13H12N2O2/c1-9-12(16)8-7-11(13(9)17)15-14-10-5-3-2-4-6-10/h2-8,16-17H,1H3/b15-14+
InChIKeyOMPLFXJOJWIDRL-CCEZHUSRSA-N
XLogP3.82
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(Phenylazo)resorcinol
CID 16325
4-(Phenylazo)-o-cresol
CID 101340
5-Methyl-4-(4-nitrophenylazo)resorcinol
CID 69095
5-Amino-2,4-dihydroxy-alpha-methylphenylethylamine
CID 129444
4-Methyl-2-(phenylazo)phenol
CID 13719
2-Methyl-4-nitroresorcinol
CID 291612
2-Methyl-4,6-bis(2-phenyldiazenyl)phenol
CID 79927
2-(o-Tolylazo)-p-cresol
CID 80738
4-Amino-6-(2-amino-ethyl)-benzene-1,3-diol
CID 15284795
4-[(4-Hydroxyphenyl)diazenyl]benzene-1,3-diol
CID 135469322
2-Methyl-4-nitrosoresorcinol
CID 100616
2,2',4'-Trihydroxyazobenzene
CID 78583

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyldiazenylbenzene-1,3-diol?
The IUPAC name of 2-methyl-4-phenyldiazenylbenzene-1,3-diol (CID 151351632) is 2-methyl-4-phenyldiazenylbenzene-1,3-diol.
What is the SMILES notation for 2-methyl-4-phenyldiazenylbenzene-1,3-diol?
The canonical SMILES for 2-methyl-4-phenyldiazenylbenzene-1,3-diol is Cc1c(O)ccc(/N=N/c2ccccc2)c1O.
What is the InChIKey of 2-methyl-4-phenyldiazenylbenzene-1,3-diol?
The InChIKey is OMPLFXJOJWIDRL-CCEZHUSRSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-9-12(16)8-7-11(13(9)17)15-14-10-5-3-2-4-6-10/h2-8,16-17H,1H3/b15-14+.
What are the key properties of 2-methyl-4-phenyldiazenylbenzene-1,3-diol?
2-methyl-4-phenyldiazenylbenzene-1,3-diol has a molecular weight of 228.25 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyldiazenylbenzene-1,3-diol is sourced from PubChem (CID 151351632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).