1-[[5-methyl-2-(2-phenylethoxy)phenyl]diazenyl]naphthalen-2-ol

C25H22N2O2 — CID 2843870

IUPAC1-[[5-methyl-2-(2-phenylethoxy)phenyl]diazenyl]naphthalen-2-ol
SMILESCc1ccc(OCCc2ccccc2)c(/N=N/c2c(O)ccc3ccccc23)c1
InChIInChI=1S/C25H22N2O2/c1-18-11-14-24(29-16-15-19-7-3-2-4-8-19)22(17-18)26-27-25-21-10-6-5-9-20(21)12-13-23(25)28/h2-14,17,28H,15-16H2,1H3/b27-26+
InChIKeyYMZHXZISIRPOSW-CYYJNZCTSA-N
MW382.46 g/mol
LogP6.89
Rot. Bonds6

About 1-[[5-methyl-2-(2-phenylethoxy)phenyl]diazenyl]naphthalen-2-ol

1-[[5-methyl-2-(2-phenylethoxy)phenyl]diazenyl]naphthalen-2-ol (PubChem CID 2843870) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[[5-methyl-2-(2-phenylethoxy)phenyl]diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[5-methyl-2-(2-phenylethoxy)phenyl]diazenyl]naphthalen-2-ol
PubChem CID2843870
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name1-[[5-methyl-2-(2-phenylethoxy)phenyl]diazenyl]naphthalen-2-ol
SMILESCc1ccc(OCCc2ccccc2)c(/N=N/c2c(O)ccc3ccccc23)c1
InChIInChI=1S/C25H22N2O2/c1-18-11-14-24(29-16-15-19-7-3-2-4-8-19)22(17-18)26-27-25-21-10-6-5-9-20(21)12-13-23(25)28/h2-14,17,28H,15-16H2,1H3/b27-26+
InChIKeyYMZHXZISIRPOSW-CYYJNZCTSA-N
XLogP6.89
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-phenoxynaphthalen-1-yl)diazenyl]naphthalen-2-ol
CID 135514019
(2,4-dimethylphenyl)-(2-tetradecoxynaphthalen-1-yl)diazene
CID 177409908
2-[2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylphenyl]-3-methyl-1H-pyrazol-5-one
CID 135436621
6-methyl-1-phenyldiazenylnaphthalen-2-ol
CID 135829765
ethane;1-phenyldiazenylnaphthalen-2-ol
CID 136657953
2-[(2-aminonaphthalen-1-yl)diazenyl]-5-methylphenol
CID 154145650
1-[(2,3,5,6-tetramethyl-4-phenyldiazenylphenyl)diazenyl]naphthalen-2-ol
CID 135977813
N-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]hydroxylamine
CID 20990812
N-[[5-methyl-2-(2-phenylethoxy)phenyl]methyl]propan-1-amine
CID 63486581
1-[[[4-(2,5-dimethylphenyl)-2,5-dimethylphenyl]diazenyl]diazenyl]naphthalen-2-ol
CID 162511969
N-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]ethanamine
CID 54804704
benzene;2-[(2-hydroxy-5-methylphenyl)diazenyl]-4-methylphenol
CID 160570750

Frequently Asked Questions

What is the IUPAC name of 1-[[5-methyl-2-(2-phenylethoxy)phenyl]diazenyl]naphthalen-2-ol?
The IUPAC name of 1-[[5-methyl-2-(2-phenylethoxy)phenyl]diazenyl]naphthalen-2-ol (CID 2843870) is 1-[[5-methyl-2-(2-phenylethoxy)phenyl]diazenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[5-methyl-2-(2-phenylethoxy)phenyl]diazenyl]naphthalen-2-ol?
The canonical SMILES for 1-[[5-methyl-2-(2-phenylethoxy)phenyl]diazenyl]naphthalen-2-ol is Cc1ccc(OCCc2ccccc2)c(/N=N/c2c(O)ccc3ccccc23)c1.
What is the InChIKey of 1-[[5-methyl-2-(2-phenylethoxy)phenyl]diazenyl]naphthalen-2-ol?
The InChIKey is YMZHXZISIRPOSW-CYYJNZCTSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-18-11-14-24(29-16-15-19-7-3-2-4-8-19)22(17-18)26-27-25-21-10-6-5-9-20(21)12-13-23(25)28/h2-14,17,28H,15-16H2,1H3/b27-26+.
What are the key properties of 1-[[5-methyl-2-(2-phenylethoxy)phenyl]diazenyl]naphthalen-2-ol?
1-[[5-methyl-2-(2-phenylethoxy)phenyl]diazenyl]naphthalen-2-ol has a molecular weight of 382.46 g/mol, XLogP of 6.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-methyl-2-(2-phenylethoxy)phenyl]diazenyl]naphthalen-2-ol is sourced from PubChem (CID 2843870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).