1-(1,3-benzodioxol-5-yldiazenyl)naphthalen-2-ol

C17H12N2O3 — CID 3328417

IUPAC1-(1,3-benzodioxol-5-yldiazenyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/N=N/c1ccc2c(c1)OCO2
InChIInChI=1S/C17H12N2O3/c20-14-7-5-11-3-1-2-4-13(11)17(14)19-18-12-6-8-15-16(9-12)22-10-21-15/h1-9,20H,10H2/b19-18+
InChIKeyVUNXRXNQWRNODO-VHEBQXMUSA-N
MW292.29 g/mol
LogP4.69
Rot. Bonds2

About 1-(1,3-benzodioxol-5-yldiazenyl)naphthalen-2-ol

1-(1,3-benzodioxol-5-yldiazenyl)naphthalen-2-ol (PubChem CID 3328417) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yldiazenyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yldiazenyl)naphthalen-2-ol
PubChem CID3328417
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name1-(1,3-benzodioxol-5-yldiazenyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/N=N/c1ccc2c(c1)OCO2
InChIInChI=1S/C17H12N2O3/c20-14-7-5-11-3-1-2-4-13(11)17(14)19-18-12-6-8-15-16(9-12)22-10-21-15/h1-9,20H,10H2/b19-18+
InChIKeyVUNXRXNQWRNODO-VHEBQXMUSA-N
XLogP4.69
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(1,3-benzodioxol-5-yldiazenyl)naphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

C.I. Solvent Red 80
CID 22830
1-(4-Methoxyphenylazo)-2-naphthol
CID 139450
Naphthoquinone 1-(1,3-benzodioxol-5-ylhydrazone)
CID 5085983
1,2-Naphthalenedione 1-(2,3-dihydro-1,4-benzodioxin-6-ylhydrazone)
CID 2834528
1-(3,4-Dihydroxyphenylazo)-2-naphthol
CID 136235018
2-Naphthalenol, 1-[(3-methoxyphenyl)azo]-
CID 588672
1-Naphthalenol, 2-methoxy-4-[2-[2-(trifluoromethyl)phenyl]diazenyl]-
CID 136661067
1-[(4-Methoxyphenyl)diazenyl]naphthalene-2,3-diol
CID 2825307
2-(1,3-Benzodioxol-5-yldiazenyl)-6-methoxy-4-prop-2-enylphenol
CID 178317340
2-Methoxy-6-(naphthalen-1-yldiazenyl)-4-prop-2-enylphenol
CID 178323046
2,3,[5-(2-Hydroxynaphtylazo)benzo]-1,4,7,10,13,16-hexaoxacyclooctadecen-2
CID 589171
1-Naphthalenol, 4-[2-(3,5-dimethylphenyl)diazenyl]-2-methoxy-
CID 136653710

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yldiazenyl)naphthalen-2-ol?
The IUPAC name of 1-(1,3-benzodioxol-5-yldiazenyl)naphthalen-2-ol (CID 3328417) is 1-(1,3-benzodioxol-5-yldiazenyl)naphthalen-2-ol.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yldiazenyl)naphthalen-2-ol?
The canonical SMILES for 1-(1,3-benzodioxol-5-yldiazenyl)naphthalen-2-ol is Oc1ccc2ccccc2c1/N=N/c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yldiazenyl)naphthalen-2-ol?
The InChIKey is VUNXRXNQWRNODO-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H12N2O3/c20-14-7-5-11-3-1-2-4-13(11)17(14)19-18-12-6-8-15-16(9-12)22-10-21-15/h1-9,20H,10H2/b19-18+.
What are the key properties of 1-(1,3-benzodioxol-5-yldiazenyl)naphthalen-2-ol?
1-(1,3-benzodioxol-5-yldiazenyl)naphthalen-2-ol has a molecular weight of 292.29 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yldiazenyl)naphthalen-2-ol is sourced from PubChem (CID 3328417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).