8-[(2-methoxy-4-methoxycarbonylphenyl)methyl]naphthalene-2-diazonium

C20H17N2O3+ — CID 19906394

IUPAC8-[(2-methoxy-4-methoxycarbonylphenyl)methyl]naphthalene-2-diazonium
SMILESCOC(=O)c1ccc(Cc2cccc3ccc([N+]#N)cc23)c(OC)c1
InChIInChI=1S/C20H17N2O3/c1-24-19-11-16(20(23)25-2)7-6-15(19)10-14-5-3-4-13-8-9-17(22-21)12-18(13)14/h3-9,11-12H,10H2,1-2H3/q+1
InChIKeyKUIOHCKHAGGAJR-UHFFFAOYSA-N
MW333.37 g/mol
LogP4.71
Rot. Bonds4

About 8-[(2-methoxy-4-methoxycarbonylphenyl)methyl]naphthalene-2-diazonium

8-[(2-methoxy-4-methoxycarbonylphenyl)methyl]naphthalene-2-diazonium (PubChem CID 19906394) has the molecular formula C20H17N2O3+ and a molecular weight of 333.37 g/mol. Its IUPAC name is 8-[(2-methoxy-4-methoxycarbonylphenyl)methyl]naphthalene-2-diazonium.

Molecular Properties

Compound Name8-[(2-methoxy-4-methoxycarbonylphenyl)methyl]naphthalene-2-diazonium
PubChem CID19906394
Molecular FormulaC20H17N2O3+
Molecular Weight333.37 g/mol
Exact Mass333.12
IUPAC Name8-[(2-methoxy-4-methoxycarbonylphenyl)methyl]naphthalene-2-diazonium
SMILESCOC(=O)c1ccc(Cc2cccc3ccc([N+]#N)cc23)c(OC)c1
InChIInChI=1S/C20H17N2O3/c1-24-19-11-16(20(23)25-2)7-6-15(19)10-14-5-3-4-13-8-9-17(22-21)12-18(13)14/h3-9,11-12H,10H2,1-2H3/q+1
InChIKeyKUIOHCKHAGGAJR-UHFFFAOYSA-N
XLogP4.71
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-Azidophenyl)benzo[h]chromen-4-one
CID 155537114
2-(3-Azidophenyl)benzo[h]chromen-4-one
CID 155539220
2-NAPHTHOIC ACID, 1-HYDROXY-4-((p-METHOXYPHENYL)AZO)-
CID 32029
[4-(Dimethylamino)naphthalen-1-yl]-(3-methoxyphenyl)methanone
CID 44580812
(E)-1-(1-acetyl-4,8-dimethoxynaphthalen-2-yl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 177653964
Methyl 9-diethylamino-2,2-bis(4-methoxyphenyl)-2H-benzo[h]chromene-5-carboxylate
CID 20663608
2-Naphthalenecarboxylic acid, 4-(acetyloxy)-6-(dimethylamino)-, ethyl ester
CID 58309302
[4-[(E)-3-[3-[4-[(2-fluoro-4-propylphenyl)diazenyl]phenyl]-2-methyl-4-[3-[4-[6-(2-methylprop-2-enoyloxy)hexoxy]phenyl]propanoyloxy]phenoxy]-3-oxoprop-1-enyl]-2-methylphenyl] 6-(3-prop-2-enoyloxypropoxy)naphthalene-2-carboxylate
CID 132268555
Methyl 2-[5-amino-3-(6-aminonaphthalen-2-yl)-4-fluoro-2-methoxyphenyl]-2-methylpropanoate
CID 144982457
Menadiane mono-p-methoxybenzoylhydrazone
CID 585679
1-(4'-Carboxyphenylazo)-4-methoxynaphthalene
CID 86200643
Methyl 10-amino-6-methoxyphenanthrene-9-carboxylate
CID 101485605

Frequently Asked Questions

What is the IUPAC name of 8-[(2-methoxy-4-methoxycarbonylphenyl)methyl]naphthalene-2-diazonium?
The IUPAC name of 8-[(2-methoxy-4-methoxycarbonylphenyl)methyl]naphthalene-2-diazonium (CID 19906394) is 8-[(2-methoxy-4-methoxycarbonylphenyl)methyl]naphthalene-2-diazonium.
What is the SMILES notation for 8-[(2-methoxy-4-methoxycarbonylphenyl)methyl]naphthalene-2-diazonium?
The canonical SMILES for 8-[(2-methoxy-4-methoxycarbonylphenyl)methyl]naphthalene-2-diazonium is COC(=O)c1ccc(Cc2cccc3ccc([N+]#N)cc23)c(OC)c1.
What is the InChIKey of 8-[(2-methoxy-4-methoxycarbonylphenyl)methyl]naphthalene-2-diazonium?
The InChIKey is KUIOHCKHAGGAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N2O3/c1-24-19-11-16(20(23)25-2)7-6-15(19)10-14-5-3-4-13-8-9-17(22-21)12-18(13)14/h3-9,11-12H,10H2,1-2H3/q+1.
What are the key properties of 8-[(2-methoxy-4-methoxycarbonylphenyl)methyl]naphthalene-2-diazonium?
8-[(2-methoxy-4-methoxycarbonylphenyl)methyl]naphthalene-2-diazonium has a molecular weight of 333.37 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-methoxy-4-methoxycarbonylphenyl)methyl]naphthalene-2-diazonium is sourced from PubChem (CID 19906394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).