2-(4-azidobut-1-enyl)-5-methoxyphenol

C11H13N3O2 — CID 170485115

IUPAC2-(4-azidobut-1-enyl)-5-methoxyphenol
SMILESCOc1ccc(C=CCCN=[N+]=[N-])c(O)c1
InChIInChI=1S/C11H13N3O2/c1-16-10-6-5-9(11(15)8-10)4-2-3-7-13-14-12/h2,4-6,8,15H,3,7H2,1H3
InChIKeyYWNYIRFRXULJTF-UHFFFAOYSA-N
MW219.24 g/mol
LogP3.11
Rot. Bonds5

About 2-(4-azidobut-1-enyl)-5-methoxyphenol

2-(4-azidobut-1-enyl)-5-methoxyphenol (PubChem CID 170485115) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(4-azidobut-1-enyl)-5-methoxyphenol.

Molecular Properties

Compound Name2-(4-azidobut-1-enyl)-5-methoxyphenol
PubChem CID170485115
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-(4-azidobut-1-enyl)-5-methoxyphenol
SMILESCOc1ccc(C=CCCN=[N+]=[N-])c(O)c1
InChIInChI=1S/C11H13N3O2/c1-16-10-6-5-9(11(15)8-10)4-2-3-7-13-14-12/h2,4-6,8,15H,3,7H2,1H3
InChIKeyYWNYIRFRXULJTF-UHFFFAOYSA-N
XLogP3.11
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-(4-azidobut-1-enyl)-5-methoxybenzoic acid
CID 170485850
1-(4-azidobut-1-enyl)-4-chloro-2-methoxybenzene
CID 170485144
4-(4-azidobut-1-enyl)-2-hydroxybenzaldehyde
CID 170485123
10-[(Z)-5-azidopent-1-enyl]-2,3,6-trimethoxyphenanthrene
CID 16731953
5-methoxy-2-[(E)-prop-1-enyl]phenol
CID 18539717
2-(4-azidobut-1-enyl)-4-fluoro-1-methoxybenzene
CID 170485145
2-[2-(3-azidoprop-1-enyl)-4-methoxyphenyl]acetic acid
CID 169462559
2-(4-azidobut-1-enyl)-3-hydroxy-4-methoxybenzaldehyde
CID 170485837
3-(4-azidobut-1-enyl)-4-hydroxy-5-methoxybenzaldehyde
CID 170485844
3-(4-azidobut-1-enyl)-2-fluorophenol
CID 170484869
2-(4-azidobut-1-enyl)-5-methylbenzaldehyde
CID 170485179
methyl 4-(3-azidoprop-1-enyl)-3-hydroxybenzoate
CID 169462797

Frequently Asked Questions

What is the IUPAC name of 2-(4-azidobut-1-enyl)-5-methoxyphenol?
The IUPAC name of 2-(4-azidobut-1-enyl)-5-methoxyphenol (CID 170485115) is 2-(4-azidobut-1-enyl)-5-methoxyphenol.
What is the SMILES notation for 2-(4-azidobut-1-enyl)-5-methoxyphenol?
The canonical SMILES for 2-(4-azidobut-1-enyl)-5-methoxyphenol is COc1ccc(C=CCCN=[N+]=[N-])c(O)c1.
What is the InChIKey of 2-(4-azidobut-1-enyl)-5-methoxyphenol?
The InChIKey is YWNYIRFRXULJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-16-10-6-5-9(11(15)8-10)4-2-3-7-13-14-12/h2,4-6,8,15H,3,7H2,1H3.
What are the key properties of 2-(4-azidobut-1-enyl)-5-methoxyphenol?
2-(4-azidobut-1-enyl)-5-methoxyphenol has a molecular weight of 219.24 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-azidobut-1-enyl)-5-methoxyphenol is sourced from PubChem (CID 170485115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).