4-(1,3-benzodioxol-5-yldiazenyl)naphthalen-1-ol

C17H12N2O3 — CID 5085983

IUPAC4-(1,3-benzodioxol-5-yldiazenyl)naphthalen-1-ol
SMILESOc1ccc(/N=N/c2ccc3c(c2)OCO3)c2ccccc12
InChIInChI=1S/C17H12N2O3/c20-15-7-6-14(12-3-1-2-4-13(12)15)19-18-11-5-8-16-17(9-11)22-10-21-16/h1-9,20H,10H2/b19-18+
InChIKeyLOXCGNHSKAQWAG-VHEBQXMUSA-N
MW292.29 g/mol
LogP4.69
Rot. Bonds2

About 4-(1,3-benzodioxol-5-yldiazenyl)naphthalen-1-ol

4-(1,3-benzodioxol-5-yldiazenyl)naphthalen-1-ol (PubChem CID 5085983) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yldiazenyl)naphthalen-1-ol.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yldiazenyl)naphthalen-1-ol
PubChem CID5085983
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name4-(1,3-benzodioxol-5-yldiazenyl)naphthalen-1-ol
SMILESOc1ccc(/N=N/c2ccc3c(c2)OCO3)c2ccccc12
InChIInChI=1S/C17H12N2O3/c20-15-7-6-14(12-3-1-2-4-13(12)15)19-18-11-5-8-16-17(9-11)22-10-21-16/h1-9,20H,10H2/b19-18+
InChIKeyLOXCGNHSKAQWAG-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'}

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Related Compounds

2-Methoxy-4-(2-naphthyldiazenyl)phenol
CID 135442100
10-[(3-Methoxyphenyl)diazenyl]anthracen-9-ol
CID 136099232
(e)-1-(4-Methoxynaphthalen-1-yl)-2-(3,4,5-trimethoxyphenyl)diazene
CID 232958
4-[(4-Methoxyphenyl)diazenyl]-1-naphthol
CID 251451
1,2-Naphthalenedione 1-(2,3-dihydro-1,4-benzodioxin-6-ylhydrazone)
CID 2834528
1-Naphthalenol, 2-methoxy-4-[2-[2-(trifluoromethyl)phenyl]diazenyl]-
CID 136661067
5-(7-Methoxy-1-nitronaphthalen-2-yl)-6-nitro-1,3-benzodioxole
CID 85848669
1-[(4-Methoxyphenyl)diazenyl]naphthalene-2,3-diol
CID 2825307
1,2-Naphthalenedione 1-(1,3-benzodioxol-5-ylhydrazone)
CID 3328417
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-[(2-Amino-4,5-dimethoxyphenyl)methyl]naphthalen-2-ol
CID 15684120

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yldiazenyl)naphthalen-1-ol?
The IUPAC name of 4-(1,3-benzodioxol-5-yldiazenyl)naphthalen-1-ol (CID 5085983) is 4-(1,3-benzodioxol-5-yldiazenyl)naphthalen-1-ol.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yldiazenyl)naphthalen-1-ol?
The canonical SMILES for 4-(1,3-benzodioxol-5-yldiazenyl)naphthalen-1-ol is Oc1ccc(/N=N/c2ccc3c(c2)OCO3)c2ccccc12.
What is the InChIKey of 4-(1,3-benzodioxol-5-yldiazenyl)naphthalen-1-ol?
The InChIKey is LOXCGNHSKAQWAG-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H12N2O3/c20-15-7-6-14(12-3-1-2-4-13(12)15)19-18-11-5-8-16-17(9-11)22-10-21-16/h1-9,20H,10H2/b19-18+.
What are the key properties of 4-(1,3-benzodioxol-5-yldiazenyl)naphthalen-1-ol?
4-(1,3-benzodioxol-5-yldiazenyl)naphthalen-1-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 4-(1,3-benzodioxol-5-yldiazenyl)naphthalen-1-ol is sourced from PubChem (CID 5085983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).