2-(hydroxymethyl)-4-[(3-methoxyphenyl)diazenyl]phenol

C14H14N2O3 — CID 136794349

IUPAC2-(hydroxymethyl)-4-[(3-methoxyphenyl)diazenyl]phenol
SMILESCOc1cccc(/N=N/c2ccc(O)c(CO)c2)c1
InChIInChI=1S/C14H14N2O3/c1-19-13-4-2-3-11(8-13)15-16-12-5-6-14(18)10(7-12)9-17/h2-8,17-18H,9H2,1H3/b16-15+
InChIKeySZGWMJVKYCFUAB-FOCLMDBBSA-N
MW258.28 g/mol
LogP3.31
Rot. Bonds4

About 2-(hydroxymethyl)-4-[(3-methoxyphenyl)diazenyl]phenol

2-(hydroxymethyl)-4-[(3-methoxyphenyl)diazenyl]phenol (PubChem CID 136794349) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-[(3-methoxyphenyl)diazenyl]phenol.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-[(3-methoxyphenyl)diazenyl]phenol
PubChem CID136794349
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-(hydroxymethyl)-4-[(3-methoxyphenyl)diazenyl]phenol
SMILESCOc1cccc(/N=N/c2ccc(O)c(CO)c2)c1
InChIInChI=1S/C14H14N2O3/c1-19-13-4-2-3-11(8-13)15-16-12-5-6-14(18)10(7-12)9-17/h2-8,17-18H,9H2,1H3/b16-15+
InChIKeySZGWMJVKYCFUAB-FOCLMDBBSA-N
XLogP3.31
TPSA74.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-(hydroxymethyl)-4-[(3-methylphenyl)diazenyl]phenol
CID 136794286
4-[(3-ethynylphenyl)diazenyl]-2-(hydroxymethyl)phenol
CID 136791477
2-(hydroxymethyl)-4-[(4-methylphenyl)diazenyl]phenol
CID 136794284
(3-methoxyphenyl)-naphthalen-2-yldiazene
CID 581663
2-[(3-methoxyanilino)methyl]-4-nitrosophenol
CID 142621590
4-[(3,4-dichlorophenyl)diazenyl]-2-(hydroxymethyl)phenol
CID 136794511
2-[2-hydroxy-5-[(3-methylphenyl)diazenyl]phenyl]acetic acid
CID 135843564
2-(1H-benzimidazol-2-yl)-4-[(3-methoxyphenyl)diazenyl]phenol
CID 136742412
2-(hydroxymethyl)-4-isocyanatophenol
CID 163547093
(3-methoxyphenyl)-[(3-methoxyphenyl)methyl]diazene
CID 157276293
2-(hydroxymethyl)-4-[2-(4-methoxyphenyl)ethyl]phenol
CID 70230717
2-chloro-5-(hydroxymethyl)-4-[(4-methoxyphenyl)diazenyl]phenol
CID 176556614

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-[(3-methoxyphenyl)diazenyl]phenol?
The IUPAC name of 2-(hydroxymethyl)-4-[(3-methoxyphenyl)diazenyl]phenol (CID 136794349) is 2-(hydroxymethyl)-4-[(3-methoxyphenyl)diazenyl]phenol.
What is the SMILES notation for 2-(hydroxymethyl)-4-[(3-methoxyphenyl)diazenyl]phenol?
The canonical SMILES for 2-(hydroxymethyl)-4-[(3-methoxyphenyl)diazenyl]phenol is COc1cccc(/N=N/c2ccc(O)c(CO)c2)c1.
What is the InChIKey of 2-(hydroxymethyl)-4-[(3-methoxyphenyl)diazenyl]phenol?
The InChIKey is SZGWMJVKYCFUAB-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-19-13-4-2-3-11(8-13)15-16-12-5-6-14(18)10(7-12)9-17/h2-8,17-18H,9H2,1H3/b16-15+.
What are the key properties of 2-(hydroxymethyl)-4-[(3-methoxyphenyl)diazenyl]phenol?
2-(hydroxymethyl)-4-[(3-methoxyphenyl)diazenyl]phenol has a molecular weight of 258.28 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-[(3-methoxyphenyl)diazenyl]phenol is sourced from PubChem (CID 136794349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).