2-(3-azidoprop-1-enyl)-6-methylphenol

C10H11N3O — CID 169461388

IUPAC2-(3-azidoprop-1-enyl)-6-methylphenol
SMILESCc1cccc(C=CCN=[N+]=[N-])c1O
InChIInChI=1S/C10H11N3O/c1-8-4-2-5-9(10(8)14)6-3-7-12-13-11/h2-6,14H,7H2,1H3
InChIKeyVFTURHNXJXBKLN-UHFFFAOYSA-N
MW189.22 g/mol
LogP3.02
Rot. Bonds3

About 2-(3-azidoprop-1-enyl)-6-methylphenol

2-(3-azidoprop-1-enyl)-6-methylphenol (PubChem CID 169461388) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-(3-azidoprop-1-enyl)-6-methylphenol.

Molecular Properties

Compound Name2-(3-azidoprop-1-enyl)-6-methylphenol
PubChem CID169461388
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-(3-azidoprop-1-enyl)-6-methylphenol
SMILESCc1cccc(C=CCN=[N+]=[N-])c1O
InChIInChI=1S/C10H11N3O/c1-8-4-2-5-9(10(8)14)6-3-7-12-13-11/h2-6,14H,7H2,1H3
InChIKeyVFTURHNXJXBKLN-UHFFFAOYSA-N
XLogP3.02
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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-(3-azidoprop-1-enyl)benzaldehyde
CID 169461381
4-(3-azidoprop-1-enyl)naphthalen-1-ol
CID 169462413
[3-(3-azidoprop-1-enyl)-2-fluorophenyl]methanol
CID 169461646
2-(3-azidoprop-1-enyl)benzenesulfonyl fluoride
CID 169462001
3-(3-azidoprop-1-enyl)-2-bromobenzaldehyde
CID 169462862
1-(3-azidoprop-1-enyl)-3-chloro-2-methoxybenzene
CID 151588086
4-(3-azidoprop-1-enyl)-2,3-difluorophenol
CID 169461687
1-(3-azidoprop-1-enyl)-2-phenylbenzene
CID 150043798
1-(3-azidoprop-1-enyl)-2-(bromomethyl)benzene
CID 169462718
2-(3-azidoprop-1-enyl)-6-chlorobenzoic acid
CID 169461967
2-(3-azidoprop-1-enyl)-5-chlorophenol
CID 169461367
5-(3-azidoprop-1-enyl)-6-methylpyridin-2-amine
CID 169461414

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidoprop-1-enyl)-6-methylphenol?
The IUPAC name of 2-(3-azidoprop-1-enyl)-6-methylphenol (CID 169461388) is 2-(3-azidoprop-1-enyl)-6-methylphenol.
What is the SMILES notation for 2-(3-azidoprop-1-enyl)-6-methylphenol?
The canonical SMILES for 2-(3-azidoprop-1-enyl)-6-methylphenol is Cc1cccc(C=CCN=[N+]=[N-])c1O.
What is the InChIKey of 2-(3-azidoprop-1-enyl)-6-methylphenol?
The InChIKey is VFTURHNXJXBKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-8-4-2-5-9(10(8)14)6-3-7-12-13-11/h2-6,14H,7H2,1H3.
What are the key properties of 2-(3-azidoprop-1-enyl)-6-methylphenol?
2-(3-azidoprop-1-enyl)-6-methylphenol has a molecular weight of 189.22 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidoprop-1-enyl)-6-methylphenol is sourced from PubChem (CID 169461388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).