1-[(3-ethyl-4,5-dimethylphenyl)diazenyl]naphthalen-2-ol

C20H20N2O — CID 136629139

IUPAC1-[(3-ethyl-4,5-dimethylphenyl)diazenyl]naphthalen-2-ol
SMILESCCc1cc(/N=N/c2c(O)ccc3ccccc23)cc(C)c1C
InChIInChI=1S/C20H20N2O/c1-4-15-12-17(11-13(2)14(15)3)21-22-20-18-8-6-5-7-16(18)9-10-19(20)23/h5-12,23H,4H2,1-3H3/b22-21+
InChIKeyKVTBNVZYRLEAQB-QURGRASLSA-N
MW304.39 g/mol
LogP6.14
Rot. Bonds3

About 1-[(3-ethyl-4,5-dimethylphenyl)diazenyl]naphthalen-2-ol

1-[(3-ethyl-4,5-dimethylphenyl)diazenyl]naphthalen-2-ol (PubChem CID 136629139) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[(3-ethyl-4,5-dimethylphenyl)diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(3-ethyl-4,5-dimethylphenyl)diazenyl]naphthalen-2-ol
PubChem CID136629139
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name1-[(3-ethyl-4,5-dimethylphenyl)diazenyl]naphthalen-2-ol
SMILESCCc1cc(/N=N/c2c(O)ccc3ccccc23)cc(C)c1C
InChIInChI=1S/C20H20N2O/c1-4-15-12-17(11-13(2)14(15)3)21-22-20-18-8-6-5-7-16(18)9-10-19(20)23/h5-12,23H,4H2,1-3H3/b22-21+
InChIKeyKVTBNVZYRLEAQB-QURGRASLSA-N
XLogP6.14
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.39
LogP ≤ 56.14
H-Bond Donors ≤ 51
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

1-[(2,3,5,6-tetramethyl-4-phenyldiazenylphenyl)diazenyl]naphthalen-2-ol
CID 135977813
ethane;1-phenyldiazenylnaphthalen-2-ol
CID 136657953
4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methylphenyl]diazenyl]benzenesulfonic acid
CID 3020169
CID 170843851
CID 170843851
4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]diazenyl]-N-oxobenzenesulfonamide
CID 147622226
[3-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]diazenyl]phenyl]-trimethylazanium chloride
CID 3081985
cobalt(2+);bis(4-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonate);methanol
CID 139171779
4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methylbenzenesulfonic acid
CID 22117
6-methyl-1-phenyldiazenylnaphthalen-2-ol
CID 135829765
sodium 2-[(2-hydroxynaphthalen-1-yl)diazenyl]-6-methyl-4-sulfophenolate
CID 170846181
1-phenyldiazenylnaphthalene-2-carbaldehyde;1-phenyldiazenylnaphthalen-2-ol
CID 159712546
carbanylium;4-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonate
CID 158079681

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-4,5-dimethylphenyl)diazenyl]naphthalen-2-ol?
The IUPAC name of 1-[(3-ethyl-4,5-dimethylphenyl)diazenyl]naphthalen-2-ol (CID 136629139) is 1-[(3-ethyl-4,5-dimethylphenyl)diazenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(3-ethyl-4,5-dimethylphenyl)diazenyl]naphthalen-2-ol?
The canonical SMILES for 1-[(3-ethyl-4,5-dimethylphenyl)diazenyl]naphthalen-2-ol is CCc1cc(/N=N/c2c(O)ccc3ccccc23)cc(C)c1C.
What is the InChIKey of 1-[(3-ethyl-4,5-dimethylphenyl)diazenyl]naphthalen-2-ol?
The InChIKey is KVTBNVZYRLEAQB-QURGRASLSA-N. The full InChI is InChI=1S/C20H20N2O/c1-4-15-12-17(11-13(2)14(15)3)21-22-20-18-8-6-5-7-16(18)9-10-19(20)23/h5-12,23H,4H2,1-3H3/b22-21+.
What are the key properties of 1-[(3-ethyl-4,5-dimethylphenyl)diazenyl]naphthalen-2-ol?
1-[(3-ethyl-4,5-dimethylphenyl)diazenyl]naphthalen-2-ol has a molecular weight of 304.39 g/mol, XLogP of 6.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-4,5-dimethylphenyl)diazenyl]naphthalen-2-ol is sourced from PubChem (CID 136629139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).