2-(2-azidoethyl)-4-methylphenol

C9H11N3O — CID 151587113

IUPAC2-(2-azidoethyl)-4-methylphenol
SMILESCc1ccc(O)c(CCN=[N+]=[N-])c1
InChIInChI=1S/C9H11N3O/c1-7-2-3-9(13)8(6-7)4-5-11-12-10/h2-3,6,13H,4-5H2,1H3
InChIKeyQHSMFFUSMCWTEZ-UHFFFAOYSA-N
MW177.21 g/mol
LogP2.55
Rot. Bonds3

About 2-(2-azidoethyl)-4-methylphenol

2-(2-azidoethyl)-4-methylphenol (PubChem CID 151587113) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-(2-azidoethyl)-4-methylphenol.

Molecular Properties

Compound Name2-(2-azidoethyl)-4-methylphenol
PubChem CID151587113
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name2-(2-azidoethyl)-4-methylphenol
SMILESCc1ccc(O)c(CCN=[N+]=[N-])c1
InChIInChI=1S/C9H11N3O/c1-7-2-3-9(13)8(6-7)4-5-11-12-10/h2-3,6,13H,4-5H2,1H3
InChIKeyQHSMFFUSMCWTEZ-UHFFFAOYSA-N
XLogP2.55
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 52.55
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-[2-(2-hydroxyphenyl)ethyl]-4-methylphenol
CID 154267038
2-(2-hydroxy-5-methylphenyl)acetic acid
CID 13360645
4-methyl-2-[(E)-3-methylpent-3-enyl]phenol
CID 102455257
4-(2-azidoethyl)-2-methoxyphenol;methane
CID 167709362
2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;tetrachlorotungsten
CID 153466850
3-(2-hydroxy-5-methylphenyl)-1-(4-methylphenyl)propan-1-one
CID 102344252
4-methyl-2-(10-methylundecyl)phenol
CID 19895157
1-(2-azidoethyl)-4-methoxy-2-methylbenzene
CID 151451429
2-(azidomethyl)-4-methoxyphenol
CID 16655853
2-(diazenylmethyl)-4-methylphenol
CID 123647682
2-(2-hydroxy-5-methylphenyl)acetaldehyde
CID 23471205
2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;phosphane
CID 174155977

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethyl)-4-methylphenol?
The IUPAC name of 2-(2-azidoethyl)-4-methylphenol (CID 151587113) is 2-(2-azidoethyl)-4-methylphenol.
What is the SMILES notation for 2-(2-azidoethyl)-4-methylphenol?
The canonical SMILES for 2-(2-azidoethyl)-4-methylphenol is Cc1ccc(O)c(CCN=[N+]=[N-])c1.
What is the InChIKey of 2-(2-azidoethyl)-4-methylphenol?
The InChIKey is QHSMFFUSMCWTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-7-2-3-9(13)8(6-7)4-5-11-12-10/h2-3,6,13H,4-5H2,1H3.
What are the key properties of 2-(2-azidoethyl)-4-methylphenol?
2-(2-azidoethyl)-4-methylphenol has a molecular weight of 177.21 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethyl)-4-methylphenol is sourced from PubChem (CID 151587113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).