(4-chlorophenyl)-(2-methoxynaphthalen-1-yl)diazene

C17H13ClN2O — CID 102056826

IUPAC(4-chlorophenyl)-(2-methoxynaphthalen-1-yl)diazene
SMILESCOc1ccc2ccccc2c1/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2O/c1-21-16-11-6-12-4-2-3-5-15(12)17(16)20-19-14-9-7-13(18)8-10-14/h2-11H,1H3/b20-19+
InChIKeyKFZSSXJOKKSWLK-FMQUCBEESA-N
MW296.76 g/mol
LogP5.92
Rot. Bonds3

About (4-chlorophenyl)-(2-methoxynaphthalen-1-yl)diazene

(4-chlorophenyl)-(2-methoxynaphthalen-1-yl)diazene (PubChem CID 102056826) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is (4-chlorophenyl)-(2-methoxynaphthalen-1-yl)diazene.

Molecular Properties

Compound Name(4-chlorophenyl)-(2-methoxynaphthalen-1-yl)diazene
PubChem CID102056826
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name(4-chlorophenyl)-(2-methoxynaphthalen-1-yl)diazene
SMILESCOc1ccc2ccccc2c1/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2O/c1-21-16-11-6-12-4-2-3-5-15(12)17(16)20-19-14-9-7-13(18)8-10-14/h2-11H,1H3/b20-19+
InChIKeyKFZSSXJOKKSWLK-FMQUCBEESA-N
XLogP5.92
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.76
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-1-nitrosonaphthalene
CID 147909055
10-[1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-yl]oxydecan-1-ol
CID 166793020
[1-[(4-methoxyphenyl)diazenyl]naphthalen-2-yl]-[(4-methoxyphenyl)methylidene]azanium tetrafluoroborate
CID 6431724
N-[2-[(4-chlorophenyl)diazenyl]-3-methoxyphenyl]benzamide
CID 132523052
2-methoxy-1-(2-methoxynaphthalen-1-yl)oxynaphthalene
CID 168858344
1-ethoxy-2-methoxynaphthalene
CID 45093938
ethane;1-phenyldiazenylnaphthalen-2-ol
CID 136657953
di(phenanthren-3-yl)diazene
CID 10786148
4-[(4-methoxyphenyl)diazenyl]isoquinolin-3-amine
CID 134913471
(1-bromonaphthalen-2-yl)-(4-methoxyphenyl)diazene
CID 572351
(6,20-dimethoxy-19-phenyldiazenyl-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-7-yl)-phenyldiazene
CID 101336795
2-methoxy-1-(trimethyl-λ4-selanyl)naphthalene
CID 175262224

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2-methoxynaphthalen-1-yl)diazene?
The IUPAC name of (4-chlorophenyl)-(2-methoxynaphthalen-1-yl)diazene (CID 102056826) is (4-chlorophenyl)-(2-methoxynaphthalen-1-yl)diazene.
What is the SMILES notation for (4-chlorophenyl)-(2-methoxynaphthalen-1-yl)diazene?
The canonical SMILES for (4-chlorophenyl)-(2-methoxynaphthalen-1-yl)diazene is COc1ccc2ccccc2c1/N=N/c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-(2-methoxynaphthalen-1-yl)diazene?
The InChIKey is KFZSSXJOKKSWLK-FMQUCBEESA-N. The full InChI is InChI=1S/C17H13ClN2O/c1-21-16-11-6-12-4-2-3-5-15(12)17(16)20-19-14-9-7-13(18)8-10-14/h2-11H,1H3/b20-19+.
What are the key properties of (4-chlorophenyl)-(2-methoxynaphthalen-1-yl)diazene?
(4-chlorophenyl)-(2-methoxynaphthalen-1-yl)diazene has a molecular weight of 296.76 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(2-methoxynaphthalen-1-yl)diazene is sourced from PubChem (CID 102056826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).