4-[(4-ethoxyphenyl)diazenyl]-2-(hydroxymethyl)-6-methoxyphenol

C16H18N2O4 — CID 136794390

IUPAC4-[(4-ethoxyphenyl)diazenyl]-2-(hydroxymethyl)-6-methoxyphenol
SMILESCCOc1ccc(/N=N/c2cc(CO)c(O)c(OC)c2)cc1
InChIInChI=1S/C16H18N2O4/c1-3-22-14-6-4-12(5-7-14)17-18-13-8-11(10-19)16(20)15(9-13)21-2/h4-9,19-20H,3,10H2,1-2H3/b18-17+
InChIKeyWARIHAMOUBZZPG-ISLYRVAYSA-N
MW302.33 g/mol
LogP3.71
Rot. Bonds6

About 4-[(4-ethoxyphenyl)diazenyl]-2-(hydroxymethyl)-6-methoxyphenol

4-[(4-ethoxyphenyl)diazenyl]-2-(hydroxymethyl)-6-methoxyphenol (PubChem CID 136794390) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)diazenyl]-2-(hydroxymethyl)-6-methoxyphenol.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)diazenyl]-2-(hydroxymethyl)-6-methoxyphenol
PubChem CID136794390
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name4-[(4-ethoxyphenyl)diazenyl]-2-(hydroxymethyl)-6-methoxyphenol
SMILESCCOc1ccc(/N=N/c2cc(CO)c(O)c(OC)c2)cc1
InChIInChI=1S/C16H18N2O4/c1-3-22-14-6-4-12(5-7-14)17-18-13-8-11(10-19)16(20)15(9-13)21-2/h4-9,19-20H,3,10H2,1-2H3/b18-17+
InChIKeyWARIHAMOUBZZPG-ISLYRVAYSA-N
XLogP3.71
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.71
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'}

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Related Compounds

(5-ethoxy-2-methoxyphenyl)methanol
CID 82643938
[3,5-bis[6-[4-[(4-ethoxyphenyl)diazenyl]phenoxy]hexoxy]phenyl]methanol
CID 101415103
(2-ethoxy-4-methoxyphenyl)methanol
CID 61267380
2-chloro-5-(hydroxymethyl)-4-[(4-methoxyphenyl)diazenyl]phenol
CID 176556614
4-ethoxy-2-methoxyphenol
CID 54107015
2-[(4-ethoxyphenyl)diazenyl]naphthalen-1-ol
CID 3019160
[3-(4-ethoxyphenyl)-4-methoxyphenyl]methanol
CID 94272407
2-ethoxy-6-methoxy-4-methylphenol
CID 125485812
4-(hydroxymethyl)-2,6-dimethoxybenzene-1,3-diol
CID 149144682
2-bromo-4-tert-butyl-6-[(4-ethoxyphenyl)diazenyl]phenol
CID 3360060
3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propan-1-ol
CID 86231691
5-ethoxy-2-hydroxy-3-methoxybenzaldehyde
CID 134891933

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)diazenyl]-2-(hydroxymethyl)-6-methoxyphenol?
The IUPAC name of 4-[(4-ethoxyphenyl)diazenyl]-2-(hydroxymethyl)-6-methoxyphenol (CID 136794390) is 4-[(4-ethoxyphenyl)diazenyl]-2-(hydroxymethyl)-6-methoxyphenol.
What is the SMILES notation for 4-[(4-ethoxyphenyl)diazenyl]-2-(hydroxymethyl)-6-methoxyphenol?
The canonical SMILES for 4-[(4-ethoxyphenyl)diazenyl]-2-(hydroxymethyl)-6-methoxyphenol is CCOc1ccc(/N=N/c2cc(CO)c(O)c(OC)c2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)diazenyl]-2-(hydroxymethyl)-6-methoxyphenol?
The InChIKey is WARIHAMOUBZZPG-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-3-22-14-6-4-12(5-7-14)17-18-13-8-11(10-19)16(20)15(9-13)21-2/h4-9,19-20H,3,10H2,1-2H3/b18-17+.
What are the key properties of 4-[(4-ethoxyphenyl)diazenyl]-2-(hydroxymethyl)-6-methoxyphenol?
4-[(4-ethoxyphenyl)diazenyl]-2-(hydroxymethyl)-6-methoxyphenol has a molecular weight of 302.33 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenyl)diazenyl]-2-(hydroxymethyl)-6-methoxyphenol is sourced from PubChem (CID 136794390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).