4-(3-butoxy-4-diazenylphenyl)butan-1-ol

C14H22N2O2 — CID 66821853

IUPAC4-(3-butoxy-4-diazenylphenyl)butan-1-ol
SMILES[H]/N=N/c1ccc(CCCCO)cc1OCCCC
InChIInChI=1S/C14H22N2O2/c1-2-3-10-18-14-11-12(6-4-5-9-17)7-8-13(14)16-15/h7-8,11,15,17H,2-6,9-10H2,1H3/b16-15+
InChIKeyYOHJDWMNZPDFJX-FOCLMDBBSA-N
MW250.34 g/mol
LogP3.84
Rot. Bonds9

About 4-(3-butoxy-4-diazenylphenyl)butan-1-ol

4-(3-butoxy-4-diazenylphenyl)butan-1-ol (PubChem CID 66821853) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-(3-butoxy-4-diazenylphenyl)butan-1-ol.

Molecular Properties

Compound Name4-(3-butoxy-4-diazenylphenyl)butan-1-ol
PubChem CID66821853
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-(3-butoxy-4-diazenylphenyl)butan-1-ol
SMILES[H]/N=N/c1ccc(CCCCO)cc1OCCCC
InChIInChI=1S/C14H22N2O2/c1-2-3-10-18-14-11-12(6-4-5-9-17)7-8-13(14)16-15/h7-8,11,15,17H,2-6,9-10H2,1H3/b16-15+
InChIKeyYOHJDWMNZPDFJX-FOCLMDBBSA-N
XLogP3.84
TPSA65.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-butoxy-4-diazenylphenyl)butan-1-ol?
The IUPAC name of 4-(3-butoxy-4-diazenylphenyl)butan-1-ol (CID 66821853) is 4-(3-butoxy-4-diazenylphenyl)butan-1-ol.
What is the SMILES notation for 4-(3-butoxy-4-diazenylphenyl)butan-1-ol?
The canonical SMILES for 4-(3-butoxy-4-diazenylphenyl)butan-1-ol is [H]/N=N/c1ccc(CCCCO)cc1OCCCC.
What is the InChIKey of 4-(3-butoxy-4-diazenylphenyl)butan-1-ol?
The InChIKey is YOHJDWMNZPDFJX-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-3-10-18-14-11-12(6-4-5-9-17)7-8-13(14)16-15/h7-8,11,15,17H,2-6,9-10H2,1H3/b16-15+.
What are the key properties of 4-(3-butoxy-4-diazenylphenyl)butan-1-ol?
4-(3-butoxy-4-diazenylphenyl)butan-1-ol has a molecular weight of 250.34 g/mol, XLogP of 3.84, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-butoxy-4-diazenylphenyl)butan-1-ol is sourced from PubChem (CID 66821853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).