[4-methoxy-2-[(4-nitrophenyl)diazenyl]-5-phenyldiazenylphenyl]methanol

C20H17N5O4 — CID 156681842

IUPAC[4-methoxy-2-[(4-nitrophenyl)diazenyl]-5-phenyldiazenylphenyl]methanol
SMILESCOc1cc(/N=N/c2ccc([N+](=O)[O-])cc2)c(CO)cc1/N=N/c1ccccc1
InChIInChI=1S/C20H17N5O4/c1-29-20-12-18(23-22-16-7-9-17(10-8-16)25(27)28)14(13-26)11-19(20)24-21-15-5-3-2-4-6-15/h2-12,26H,13H2,1H3/b23-22+,24-21+
InChIKeyBBKCHWAUGRDONM-MDNZCRNZSA-N
MW391.39 g/mol
LogP5.93
Rot. Bonds7

About [4-methoxy-2-[(4-nitrophenyl)diazenyl]-5-phenyldiazenylphenyl]methanol

[4-methoxy-2-[(4-nitrophenyl)diazenyl]-5-phenyldiazenylphenyl]methanol (PubChem CID 156681842) has the molecular formula C20H17N5O4 and a molecular weight of 391.39 g/mol. Its IUPAC name is [4-methoxy-2-[(4-nitrophenyl)diazenyl]-5-phenyldiazenylphenyl]methanol.

Molecular Properties

Compound Name[4-methoxy-2-[(4-nitrophenyl)diazenyl]-5-phenyldiazenylphenyl]methanol
PubChem CID156681842
Molecular FormulaC20H17N5O4
Molecular Weight391.39 g/mol
Exact Mass391.13
IUPAC Name[4-methoxy-2-[(4-nitrophenyl)diazenyl]-5-phenyldiazenylphenyl]methanol
SMILESCOc1cc(/N=N/c2ccc([N+](=O)[O-])cc2)c(CO)cc1/N=N/c1ccccc1
InChIInChI=1S/C20H17N5O4/c1-29-20-12-18(23-22-16-7-9-17(10-8-16)25(27)28)14(13-26)11-19(20)24-21-15-5-3-2-4-6-15/h2-12,26H,13H2,1H3/b23-22+,24-21+
InChIKeyBBKCHWAUGRDONM-MDNZCRNZSA-N
XLogP5.93
TPSA122.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.39
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[4-methoxy-5-[[6-[(2-methylpropan-2-yl)oxy]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl]diazenyl]-2-[(4-nitrophenyl)diazenyl]phenyl]methanol
CID 166504450
[4-methoxy-2-[(4-nitrophenyl)diazenyl]-5-[(6-propan-2-yloxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)diazenyl]phenyl]methanol
CID 129060678
2-[4-[[2,5-dimethoxy-4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]-N-(2-nitrosoethyl)anilino]ethanol
CID 90378459
(4-nitrophenyl)-phenyldiazene
CID 17222
5-methoxy-2-nitro-4-phenyldiazenylaniline
CID 21393323
2-[2-[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]phenyl]ethenyl]-5-nitrobenzenesulfonic acid
CID 136632583
2-[2-[4-[[2-(hydroxymethyl)-4-[[1-hydroxy-6-(phenoxyamino)naphthalen-2-yl]diazenyl]-5-methoxyphenyl]diazenyl]phenyl]ethenyl]-5-nitrobenzenesulfonic acid
CID 136632579
2-[4-[[5-(hydroxymethyl)-4-[[2-[2-[(3-isocyanatophenyl)carbamoyloxy]ethoxy]-4-nitrophenyl]diazenyl]-2-methoxyphenyl]diazenyl]-N-[2-[(3-isocyanatophenyl)carbamoyloxy]ethyl]anilino]ethyl N-(3-isocyanatophenyl)carbamate
CID 88867128
2-[4-[[2,5-dimethoxy-4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl trifluoromethanesulfonate
CID 134222535
[3-(hydroxymethyl)-4-[(4-nitrophenyl)diazenyl]anilino]methanesulfonic acid
CID 150250346
3,6-dimethoxy-2-nitro-4-phenyldiazenylaniline
CID 88767483
2-[2-[4-[[2-(hydroxymethyl)-4-[[1-hydroxy-6-(4-methylanilino)naphthalen-2-yl]diazenyl]-5-methoxyphenyl]diazenyl]phenyl]ethenyl]-5-nitrobenzenesulfonic acid
CID 136632575

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-[(4-nitrophenyl)diazenyl]-5-phenyldiazenylphenyl]methanol?
The IUPAC name of [4-methoxy-2-[(4-nitrophenyl)diazenyl]-5-phenyldiazenylphenyl]methanol (CID 156681842) is [4-methoxy-2-[(4-nitrophenyl)diazenyl]-5-phenyldiazenylphenyl]methanol.
What is the SMILES notation for [4-methoxy-2-[(4-nitrophenyl)diazenyl]-5-phenyldiazenylphenyl]methanol?
The canonical SMILES for [4-methoxy-2-[(4-nitrophenyl)diazenyl]-5-phenyldiazenylphenyl]methanol is COc1cc(/N=N/c2ccc([N+](=O)[O-])cc2)c(CO)cc1/N=N/c1ccccc1.
What is the InChIKey of [4-methoxy-2-[(4-nitrophenyl)diazenyl]-5-phenyldiazenylphenyl]methanol?
The InChIKey is BBKCHWAUGRDONM-MDNZCRNZSA-N. The full InChI is InChI=1S/C20H17N5O4/c1-29-20-12-18(23-22-16-7-9-17(10-8-16)25(27)28)14(13-26)11-19(20)24-21-15-5-3-2-4-6-15/h2-12,26H,13H2,1H3/b23-22+,24-21+.
What are the key properties of [4-methoxy-2-[(4-nitrophenyl)diazenyl]-5-phenyldiazenylphenyl]methanol?
[4-methoxy-2-[(4-nitrophenyl)diazenyl]-5-phenyldiazenylphenyl]methanol has a molecular weight of 391.39 g/mol, XLogP of 5.93, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-[(4-nitrophenyl)diazenyl]-5-phenyldiazenylphenyl]methanol is sourced from PubChem (CID 156681842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).