2-diazenyl-4-propylbenzene-1,3-diol

C9H12N2O2 — CID 158015284

IUPAC2-diazenyl-4-propylbenzene-1,3-diol
SMILES[H]/N=N/c1c(O)ccc(CCC)c1O
InChIInChI=1S/C9H12N2O2/c1-2-3-6-4-5-7(12)8(11-10)9(6)13/h4-5,10,12-13H,2-3H2,1H3/b11-10+
InChIKeyYQDIFCGQUHOKHO-ZHACJKMWSA-N
MW180.21 g/mol
LogP2.71
Rot. Bonds3

About 2-diazenyl-4-propylbenzene-1,3-diol

2-diazenyl-4-propylbenzene-1,3-diol (PubChem CID 158015284) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-diazenyl-4-propylbenzene-1,3-diol.

Molecular Properties

Compound Name2-diazenyl-4-propylbenzene-1,3-diol
PubChem CID158015284
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-diazenyl-4-propylbenzene-1,3-diol
SMILES[H]/N=N/c1c(O)ccc(CCC)c1O
InChIInChI=1S/C9H12N2O2/c1-2-3-6-4-5-7(12)8(11-10)9(6)13/h4-5,10,12-13H,2-3H2,1H3/b11-10+
InChIKeyYQDIFCGQUHOKHO-ZHACJKMWSA-N
XLogP2.71
TPSA76.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 52.71
H-Bond Donors ≤ 53
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

2-amino-3,6-dipropylphenol
CID 134347282
2,6-dihydroxy-3-propylbenzoic acid
CID 67658629
1-diazenyl-2-ethylanthracene-9,10-diol
CID 175330263
2-diazenyl-3,4-bis(ethenyl)phenol;ethane
CID 142860543
2,3-difluoro-4-propylphenol
CID 14495704
phosphoric acid;3-propylbenzene-1,2-diol
CID 174603816
2-methyl-3-prop-2-enyl-4-propylphenol
CID 175489443
4-[4-(4-hydroxy-3-propylphenyl)heptan-4-yl]-2-propylphenol
CID 71712434
2-hydroxy-4,7-dipropylisoindole-1,3-diimine
CID 23363508
2-pentyl-3,4-dipropylphenol
CID 66866454
4,6-dipropylbenzene-1,3-diol
CID 70496109
ethane;5-fluoro-2-propylphenol
CID 143012210

Frequently Asked Questions

What is the IUPAC name of 2-diazenyl-4-propylbenzene-1,3-diol?
The IUPAC name of 2-diazenyl-4-propylbenzene-1,3-diol (CID 158015284) is 2-diazenyl-4-propylbenzene-1,3-diol.
What is the SMILES notation for 2-diazenyl-4-propylbenzene-1,3-diol?
The canonical SMILES for 2-diazenyl-4-propylbenzene-1,3-diol is [H]/N=N/c1c(O)ccc(CCC)c1O.
What is the InChIKey of 2-diazenyl-4-propylbenzene-1,3-diol?
The InChIKey is YQDIFCGQUHOKHO-ZHACJKMWSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-3-6-4-5-7(12)8(11-10)9(6)13/h4-5,10,12-13H,2-3H2,1H3/b11-10+.
What are the key properties of 2-diazenyl-4-propylbenzene-1,3-diol?
2-diazenyl-4-propylbenzene-1,3-diol has a molecular weight of 180.21 g/mol, XLogP of 2.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazenyl-4-propylbenzene-1,3-diol is sourced from PubChem (CID 158015284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).