2-[(4-chloro-2-nitrophenyl)diazenyl]-4-(3-hydroxypropyl)phenol

C15H14ClN3O4 — CID 135554929

IUPAC2-[(4-chloro-2-nitrophenyl)diazenyl]-4-(3-hydroxypropyl)phenol
SMILESO=[N+]([O-])c1cc(Cl)ccc1/N=N/c1cc(CCCO)ccc1O
InChIInChI=1S/C15H14ClN3O4/c16-11-4-5-12(14(9-11)19(22)23)17-18-13-8-10(2-1-7-20)3-6-15(13)21/h3-6,8-9,20-21H,1-2,7H2/b18-17+
InChIKeyJFXQPMALQDWMFD-ISLYRVAYSA-N
MW335.75 g/mol
LogP4.29
Rot. Bonds6

About 2-[(4-chloro-2-nitrophenyl)diazenyl]-4-(3-hydroxypropyl)phenol

2-[(4-chloro-2-nitrophenyl)diazenyl]-4-(3-hydroxypropyl)phenol (PubChem CID 135554929) has the molecular formula C15H14ClN3O4 and a molecular weight of 335.75 g/mol. Its IUPAC name is 2-[(4-chloro-2-nitrophenyl)diazenyl]-4-(3-hydroxypropyl)phenol.

Molecular Properties

Compound Name2-[(4-chloro-2-nitrophenyl)diazenyl]-4-(3-hydroxypropyl)phenol
PubChem CID135554929
Molecular FormulaC15H14ClN3O4
Molecular Weight335.75 g/mol
Exact Mass335.07
IUPAC Name2-[(4-chloro-2-nitrophenyl)diazenyl]-4-(3-hydroxypropyl)phenol
SMILESO=[N+]([O-])c1cc(Cl)ccc1/N=N/c1cc(CCCO)ccc1O
InChIInChI=1S/C15H14ClN3O4/c16-11-4-5-12(14(9-11)19(22)23)17-18-13-8-10(2-1-7-20)3-6-15(13)21/h3-6,8-9,20-21H,1-2,7H2/b18-17+
InChIKeyJFXQPMALQDWMFD-ISLYRVAYSA-N
XLogP4.29
TPSA108.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.75
LogP ≤ 54.29
H-Bond Donors ≤ 52
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-chloro-2-nitrophenyl)diazenyl]-6-[3-[3-[(4-chloro-2-nitrophenyl)diazenyl]-2-hydroxy-5-(2-hydroxyethyl)phenyl]propyl]-4-(2-hydroxyethyl)phenol
CID 139809284
4-[(4-chloro-2-nitrophenyl)diazenyl]benzene-1,3-diol
CID 135554972
2-[(4-dodecyl-2-nitrophenyl)diazenyl]-4-methylphenol
CID 135708768
4-ethyl-2-[(2-methyl-3-nitrophenyl)diazenyl]phenol
CID 3359294
3-(4-chloro-2-nitrophenoxy)propan-1-ol
CID 43509924
2-[(2-hydroxy-5-pentylphenyl)diazenyl]-4-pentylphenol
CID 177435074
N,N'-bis(4-chloro-2-nitrophenyl)methanediimine
CID 19830143
4-tert-butyl-2-[(4-chloro-2-nitrophenyl)diazenyl]-6-phenylphenol
CID 135738326
3-(8-nitronaphthalen-2-yl)propan-1-ol
CID 53483211
2-(4-fluoro-3-nitrophenyl)ethanol
CID 11252405
2-tert-butyl-6-[(4-chloro-2-nitrophenyl)diazenyl]-4-(2-methylbutan-2-yl)phenol
CID 137295417
4-chloro-1-isothiocyanato-2-nitrobenzene
CID 13266752

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-nitrophenyl)diazenyl]-4-(3-hydroxypropyl)phenol?
The IUPAC name of 2-[(4-chloro-2-nitrophenyl)diazenyl]-4-(3-hydroxypropyl)phenol (CID 135554929) is 2-[(4-chloro-2-nitrophenyl)diazenyl]-4-(3-hydroxypropyl)phenol.
What is the SMILES notation for 2-[(4-chloro-2-nitrophenyl)diazenyl]-4-(3-hydroxypropyl)phenol?
The canonical SMILES for 2-[(4-chloro-2-nitrophenyl)diazenyl]-4-(3-hydroxypropyl)phenol is O=[N+]([O-])c1cc(Cl)ccc1/N=N/c1cc(CCCO)ccc1O.
What is the InChIKey of 2-[(4-chloro-2-nitrophenyl)diazenyl]-4-(3-hydroxypropyl)phenol?
The InChIKey is JFXQPMALQDWMFD-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H14ClN3O4/c16-11-4-5-12(14(9-11)19(22)23)17-18-13-8-10(2-1-7-20)3-6-15(13)21/h3-6,8-9,20-21H,1-2,7H2/b18-17+.
What are the key properties of 2-[(4-chloro-2-nitrophenyl)diazenyl]-4-(3-hydroxypropyl)phenol?
2-[(4-chloro-2-nitrophenyl)diazenyl]-4-(3-hydroxypropyl)phenol has a molecular weight of 335.75 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-nitrophenyl)diazenyl]-4-(3-hydroxypropyl)phenol is sourced from PubChem (CID 135554929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).