1-(4-diazenyl-3,5-diethoxyphenyl)ethanol

C12H18N2O3 — CID 71072786

IUPAC1-(4-diazenyl-3,5-diethoxyphenyl)ethanol
SMILES[H]/N=N/c1c(OCC)cc(C(C)O)cc1OCC
InChIInChI=1S/C12H18N2O3/c1-4-16-10-6-9(8(3)15)7-11(17-5-2)12(10)14-13/h6-8,13,15H,4-5H2,1-3H3/b14-13+
InChIKeyDKLJKZOWGYFFOR-BUHFOSPRSA-N
MW238.29 g/mol
LogP3.20
Rot. Bonds6

About 1-(4-diazenyl-3,5-diethoxyphenyl)ethanol

1-(4-diazenyl-3,5-diethoxyphenyl)ethanol (PubChem CID 71072786) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(4-diazenyl-3,5-diethoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(4-diazenyl-3,5-diethoxyphenyl)ethanol
PubChem CID71072786
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-(4-diazenyl-3,5-diethoxyphenyl)ethanol
SMILES[H]/N=N/c1c(OCC)cc(C(C)O)cc1OCC
InChIInChI=1S/C12H18N2O3/c1-4-16-10-6-9(8(3)15)7-11(17-5-2)12(10)14-13/h6-8,13,15H,4-5H2,1-3H3/b14-13+
InChIKeyDKLJKZOWGYFFOR-BUHFOSPRSA-N
XLogP3.20
TPSA74.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.20
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-methyl-1-(3,4,5-triethoxyphenyl)butan-1-ol
CID 115823357
(1S)-1-(4-ethoxy-3,5-dimethylphenyl)ethanol
CID 97294345
1-(3-ethoxy-4-methoxyphenyl)ethanol
CID 59391643
(1R)-1-(3-ethoxy-4-fluorophenyl)ethanol
CID 97294338
1-(3-ethoxy-5-methylphenyl)ethanol
CID 171367862
1-(3,5-ditert-butyl-4-ethoxyphenyl)ethanol
CID 82265791
1-(3-chloro-4-ethoxyphenyl)ethanol
CID 82076442
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
1-(3,5-diethoxyphenyl)-2-methylpropan-1-ol
CID 70065234
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
1-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol
CID 83950833
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902

Frequently Asked Questions

What is the IUPAC name of 1-(4-diazenyl-3,5-diethoxyphenyl)ethanol?
The IUPAC name of 1-(4-diazenyl-3,5-diethoxyphenyl)ethanol (CID 71072786) is 1-(4-diazenyl-3,5-diethoxyphenyl)ethanol.
What is the SMILES notation for 1-(4-diazenyl-3,5-diethoxyphenyl)ethanol?
The canonical SMILES for 1-(4-diazenyl-3,5-diethoxyphenyl)ethanol is [H]/N=N/c1c(OCC)cc(C(C)O)cc1OCC.
What is the InChIKey of 1-(4-diazenyl-3,5-diethoxyphenyl)ethanol?
The InChIKey is DKLJKZOWGYFFOR-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-4-16-10-6-9(8(3)15)7-11(17-5-2)12(10)14-13/h6-8,13,15H,4-5H2,1-3H3/b14-13+.
What are the key properties of 1-(4-diazenyl-3,5-diethoxyphenyl)ethanol?
1-(4-diazenyl-3,5-diethoxyphenyl)ethanol has a molecular weight of 238.29 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-diazenyl-3,5-diethoxyphenyl)ethanol is sourced from PubChem (CID 71072786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).