[3-hydroxy-2-[(2-nitrophenyl)diazenyl]-5-phenylmethoxyphenyl]-phenylmethanone

C26H19N3O5 — CID 136620731

IUPAC[3-hydroxy-2-[(2-nitrophenyl)diazenyl]-5-phenylmethoxyphenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(OCc2ccccc2)cc(O)c1/N=N/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C26H19N3O5/c30-24-16-20(34-17-18-9-3-1-4-10-18)15-21(26(31)19-11-5-2-6-12-19)25(24)28-27-22-13-7-8-14-23(22)29(32)33/h1-16,30H,17H2/b28-27+
InChIKeyDDKIBKYVLLXFAT-BYYHNAKLSA-N
MW453.45 g/mol
LogP6.53
Rot. Bonds8

About [3-hydroxy-2-[(2-nitrophenyl)diazenyl]-5-phenylmethoxyphenyl]-phenylmethanone

[3-hydroxy-2-[(2-nitrophenyl)diazenyl]-5-phenylmethoxyphenyl]-phenylmethanone (PubChem CID 136620731) has the molecular formula C26H19N3O5 and a molecular weight of 453.45 g/mol. Its IUPAC name is [3-hydroxy-2-[(2-nitrophenyl)diazenyl]-5-phenylmethoxyphenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-hydroxy-2-[(2-nitrophenyl)diazenyl]-5-phenylmethoxyphenyl]-phenylmethanone
PubChem CID136620731
Molecular FormulaC26H19N3O5
Molecular Weight453.45 g/mol
Exact Mass453.13
IUPAC Name[3-hydroxy-2-[(2-nitrophenyl)diazenyl]-5-phenylmethoxyphenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(OCc2ccccc2)cc(O)c1/N=N/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C26H19N3O5/c30-24-16-20(34-17-18-9-3-1-4-10-18)15-21(26(31)19-11-5-2-6-12-19)25(24)28-27-22-13-7-8-14-23(22)29(32)33/h1-16,30H,17H2/b28-27+
InChIKeyDDKIBKYVLLXFAT-BYYHNAKLSA-N
XLogP6.53
TPSA114.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.45
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-nitrophenyl)diazenyl]benzene-1,3,5-triol
CID 135986053
benzyl carbamate;(2-nitrophenyl)-phenylmethanone
CID 175296200
2-nitro-4-phenylmethoxybenzoic acid
CID 23545885
bis(3-nitro-4-phenylmethoxyphenyl)methanone
CID 21234669
(3-hydroxy-5-phenylmethoxyphenyl)-phenylmethanone
CID 71119902
dihydroxy(oxo)phosphanium;(2-nitrophenyl)-phenylmethanone
CID 174984132
2-(2-nitro-5-phenylmethoxyphenyl)acetyl chloride
CID 87823610
2-nitro-N-(3-phenylmethoxyphenyl)benzamide
CID 17085980
2-[(2-nitrophenyl)diazenyl]-5-octoxyphenol
CID 136827510
N-(2-nitrophenyl)-3-phenylmethoxybenzamide
CID 23854961
2-nitro-4-[(4-phenylmethoxyphenyl)carbamoyl]benzoic acid
CID 139779417
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 3098486

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-2-[(2-nitrophenyl)diazenyl]-5-phenylmethoxyphenyl]-phenylmethanone?
The IUPAC name of [3-hydroxy-2-[(2-nitrophenyl)diazenyl]-5-phenylmethoxyphenyl]-phenylmethanone (CID 136620731) is [3-hydroxy-2-[(2-nitrophenyl)diazenyl]-5-phenylmethoxyphenyl]-phenylmethanone.
What is the SMILES notation for [3-hydroxy-2-[(2-nitrophenyl)diazenyl]-5-phenylmethoxyphenyl]-phenylmethanone?
The canonical SMILES for [3-hydroxy-2-[(2-nitrophenyl)diazenyl]-5-phenylmethoxyphenyl]-phenylmethanone is O=C(c1ccccc1)c1cc(OCc2ccccc2)cc(O)c1/N=N/c1ccccc1[N+](=O)[O-].
What is the InChIKey of [3-hydroxy-2-[(2-nitrophenyl)diazenyl]-5-phenylmethoxyphenyl]-phenylmethanone?
The InChIKey is DDKIBKYVLLXFAT-BYYHNAKLSA-N. The full InChI is InChI=1S/C26H19N3O5/c30-24-16-20(34-17-18-9-3-1-4-10-18)15-21(26(31)19-11-5-2-6-12-19)25(24)28-27-22-13-7-8-14-23(22)29(32)33/h1-16,30H,17H2/b28-27+.
What are the key properties of [3-hydroxy-2-[(2-nitrophenyl)diazenyl]-5-phenylmethoxyphenyl]-phenylmethanone?
[3-hydroxy-2-[(2-nitrophenyl)diazenyl]-5-phenylmethoxyphenyl]-phenylmethanone has a molecular weight of 453.45 g/mol, XLogP of 6.53, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-2-[(2-nitrophenyl)diazenyl]-5-phenylmethoxyphenyl]-phenylmethanone is sourced from PubChem (CID 136620731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).