3-(anilinooxymethyl)-1-[(2-hydroxyphenyl)diazenyl]naphthalen-2-ol

C23H19N3O3 — CID 135962626

IUPAC3-(anilinooxymethyl)-1-[(2-hydroxyphenyl)diazenyl]naphthalen-2-ol
SMILESOc1ccccc1/N=N/c1c(O)c(CONc2ccccc2)cc2ccccc12
InChIInChI=1S/C23H19N3O3/c27-21-13-7-6-12-20(21)24-25-22-19-11-5-4-8-16(19)14-17(23(22)28)15-29-26-18-9-2-1-3-10-18/h1-14,26-28H,15H2/b25-24+
InChIKeyQHXVLVIVGRBPAO-OCOZRVBESA-N
MW385.42 g/mol
LogP6.21
Rot. Bonds6

About 3-(anilinooxymethyl)-1-[(2-hydroxyphenyl)diazenyl]naphthalen-2-ol

3-(anilinooxymethyl)-1-[(2-hydroxyphenyl)diazenyl]naphthalen-2-ol (PubChem CID 135962626) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 3-(anilinooxymethyl)-1-[(2-hydroxyphenyl)diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name3-(anilinooxymethyl)-1-[(2-hydroxyphenyl)diazenyl]naphthalen-2-ol
PubChem CID135962626
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name3-(anilinooxymethyl)-1-[(2-hydroxyphenyl)diazenyl]naphthalen-2-ol
SMILESOc1ccccc1/N=N/c1c(O)c(CONc2ccccc2)cc2ccccc12
InChIInChI=1S/C23H19N3O3/c27-21-13-7-6-12-20(21)24-25-22-19-11-5-4-8-16(19)14-17(23(22)28)15-29-26-18-9-2-1-3-10-18/h1-14,26-28H,15H2/b25-24+
InChIKeyQHXVLVIVGRBPAO-OCOZRVBESA-N
XLogP6.21
TPSA86.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.42
LogP ≤ 56.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[anilino(hydroxy)methyl]-1-[(5-chloro-2-hydroxyphenyl)diazenyl]naphthalen-2-ol
CID 138503014
2-[(2-hydroxyphenyl)diazenyl]naphthalen-1-ol
CID 135744709
bis(4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide);iron;methane
CID 161221882
N-[2,5-diethyl-4-[[3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
CID 177438647
4-[(4-butyl-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 135991568
sodium 5-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate
CID 135488958
4-[[5-(anilinooxymethyl)-2-methoxyphenyl]diazenyl]-3-hydroxy-7-methyl-N-(2-methylquinolin-4-yl)naphthalene-2-carboxamide
CID 135843504
[3-hydroxy-4-(naphthalen-1-yldiazenyl)naphthalen-2-yl] prop-2-enoate
CID 135847581
1-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-(phenylcarbamoyl)naphthalen-2-olate
CID 136688245
3-[4-[[3-(anilinooxymethyl)-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]imino-4,6,7-trichloro-5-methylisoindol-1-one
CID 136951613
1-[(2-phenoxynaphthalen-1-yl)diazenyl]naphthalen-2-ol
CID 135514019
4-[(2-chloro-3-methylphenyl)diazenyl]-N-[4-[[4-[(2-chloro-3-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-3-hydroxynaphthalene-2-carboxamide
CID 136854780

Frequently Asked Questions

What is the IUPAC name of 3-(anilinooxymethyl)-1-[(2-hydroxyphenyl)diazenyl]naphthalen-2-ol?
The IUPAC name of 3-(anilinooxymethyl)-1-[(2-hydroxyphenyl)diazenyl]naphthalen-2-ol (CID 135962626) is 3-(anilinooxymethyl)-1-[(2-hydroxyphenyl)diazenyl]naphthalen-2-ol.
What is the SMILES notation for 3-(anilinooxymethyl)-1-[(2-hydroxyphenyl)diazenyl]naphthalen-2-ol?
The canonical SMILES for 3-(anilinooxymethyl)-1-[(2-hydroxyphenyl)diazenyl]naphthalen-2-ol is Oc1ccccc1/N=N/c1c(O)c(CONc2ccccc2)cc2ccccc12.
What is the InChIKey of 3-(anilinooxymethyl)-1-[(2-hydroxyphenyl)diazenyl]naphthalen-2-ol?
The InChIKey is QHXVLVIVGRBPAO-OCOZRVBESA-N. The full InChI is InChI=1S/C23H19N3O3/c27-21-13-7-6-12-20(21)24-25-22-19-11-5-4-8-16(19)14-17(23(22)28)15-29-26-18-9-2-1-3-10-18/h1-14,26-28H,15H2/b25-24+.
What are the key properties of 3-(anilinooxymethyl)-1-[(2-hydroxyphenyl)diazenyl]naphthalen-2-ol?
3-(anilinooxymethyl)-1-[(2-hydroxyphenyl)diazenyl]naphthalen-2-ol has a molecular weight of 385.42 g/mol, XLogP of 6.21, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(anilinooxymethyl)-1-[(2-hydroxyphenyl)diazenyl]naphthalen-2-ol is sourced from PubChem (CID 135962626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).