2-azido-2-(3-methylphenyl)ethanol

C9H11N3O — CID 150053824

IUPAC2-azido-2-(3-methylphenyl)ethanol
SMILESCc1cccc(C(CO)N=[N+]=[N-])c1
InChIInChI=1S/C9H11N3O/c1-7-3-2-4-8(5-7)9(6-13)11-12-10/h2-5,9,13H,6H2,1H3
InChIKeyDLWBTWDTBGJRQG-UHFFFAOYSA-N
MW177.21 g/mol
LogP2.34
Rot. Bonds3

About 2-azido-2-(3-methylphenyl)ethanol

2-azido-2-(3-methylphenyl)ethanol (PubChem CID 150053824) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-azido-2-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-azido-2-(3-methylphenyl)ethanol
PubChem CID150053824
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name2-azido-2-(3-methylphenyl)ethanol
SMILESCc1cccc(C(CO)N=[N+]=[N-])c1
InChIInChI=1S/C9H11N3O/c1-7-3-2-4-8(5-7)9(6-13)11-12-10/h2-5,9,13H,6H2,1H3
InChIKeyDLWBTWDTBGJRQG-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
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

1-[(1R)-1-azidopropyl]-3-methylbenzene
CID 130543467
2-(3-methylphenyl)propan-1-ol
CID 21478686
(2S)-2-azido-2-(2-methoxy-6-methylphenyl)ethanol
CID 638643
(2S)-3-amino-2-(3-methylphenyl)propan-1-ol
CID 86327369
3-amino-2-(3-methylphenyl)propan-1-ol
CID 46911824
[(1R)-1,3-diazido-3-phenylpropyl]benzene
CID 173489253
2-aminooxy-2-(3-methylphenyl)ethanol
CID 105433392
2-cyclopropyl-2-(3-methylphenyl)ethanol
CID 104819581
4-amino-3-(3-methylphenyl)hexan-1-ol
CID 66091951
2-(3-methylphenyl)undecan-1-ol
CID 79417930
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
2,2-diethoxy-1-(3-methylphenyl)ethanol
CID 79494986

Frequently Asked Questions

What is the IUPAC name of 2-azido-2-(3-methylphenyl)ethanol?
The IUPAC name of 2-azido-2-(3-methylphenyl)ethanol (CID 150053824) is 2-azido-2-(3-methylphenyl)ethanol.
What is the SMILES notation for 2-azido-2-(3-methylphenyl)ethanol?
The canonical SMILES for 2-azido-2-(3-methylphenyl)ethanol is Cc1cccc(C(CO)N=[N+]=[N-])c1.
What is the InChIKey of 2-azido-2-(3-methylphenyl)ethanol?
The InChIKey is DLWBTWDTBGJRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-7-3-2-4-8(5-7)9(6-13)11-12-10/h2-5,9,13H,6H2,1H3.
What are the key properties of 2-azido-2-(3-methylphenyl)ethanol?
2-azido-2-(3-methylphenyl)ethanol has a molecular weight of 177.21 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-2-(3-methylphenyl)ethanol is sourced from PubChem (CID 150053824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).