2-azido-3-methyl-6-propan-2-ylphenol

C10H13N3O — CID 151735822

IUPAC2-azido-3-methyl-6-propan-2-ylphenol
SMILESCc1ccc(C(C)C)c(O)c1N=[N+]=[N-]
InChIInChI=1S/C10H13N3O/c1-6(2)8-5-4-7(3)9(10(8)14)12-13-11/h4-6,14H,1-3H3
InChIKeyRLMPXHBRTUJPEU-UHFFFAOYSA-N
MW191.23 g/mol
LogP3.77
Rot. Bonds2

About 2-azido-3-methyl-6-propan-2-ylphenol

2-azido-3-methyl-6-propan-2-ylphenol (PubChem CID 151735822) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-azido-3-methyl-6-propan-2-ylphenol.

Molecular Properties

Compound Name2-azido-3-methyl-6-propan-2-ylphenol
PubChem CID151735822
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-azido-3-methyl-6-propan-2-ylphenol
SMILESCc1ccc(C(C)C)c(O)c1N=[N+]=[N-]
InChIInChI=1S/C10H13N3O/c1-6(2)8-5-4-7(3)9(10(8)14)12-13-11/h4-6,14H,1-3H3
InChIKeyRLMPXHBRTUJPEU-UHFFFAOYSA-N
XLogP3.77
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 53.77
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-hydroxy-3-methyl-6-propan-2-ylphenyl)diazenyl]-6-methyl-3-propan-2-ylphenol
CID 175998451
2-ethyl-3-methyl-6-propan-2-ylphenol
CID 141031385
3-azido-1-chloro-2,4-dimethylbenzene
CID 151172193
2-tert-butyl-3-methyl-6-propan-2-ylphenol
CID 23086797
5-azido-2-methylphenol
CID 90382117
2-[[2-hydroxy-3-propan-2-yl-6-(1,3-thiazol-2-ylmethyl)phenyl]diazenyl]-3-methyl-6-propan-2-ylphenol
CID 137184596
1-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)propan-2-one
CID 84674442
N-(2-methyl-6-propan-2-ylphenyl)propan-2-imine
CID 123174070
5-methyl-2-propan-2-ylnaphthalen-1-ol
CID 139817712
2,4-diazido-1,3,5-trimethylbenzene
CID 71379513
2-fluoro-6-(1-hydroxyethyl)-3-methylphenol
CID 117276805
2-azidooxy-4-methyl-1-propan-2-ylbenzene
CID 91157951

Frequently Asked Questions

What is the IUPAC name of 2-azido-3-methyl-6-propan-2-ylphenol?
The IUPAC name of 2-azido-3-methyl-6-propan-2-ylphenol (CID 151735822) is 2-azido-3-methyl-6-propan-2-ylphenol.
What is the SMILES notation for 2-azido-3-methyl-6-propan-2-ylphenol?
The canonical SMILES for 2-azido-3-methyl-6-propan-2-ylphenol is Cc1ccc(C(C)C)c(O)c1N=[N+]=[N-].
What is the InChIKey of 2-azido-3-methyl-6-propan-2-ylphenol?
The InChIKey is RLMPXHBRTUJPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-6(2)8-5-4-7(3)9(10(8)14)12-13-11/h4-6,14H,1-3H3.
What are the key properties of 2-azido-3-methyl-6-propan-2-ylphenol?
2-azido-3-methyl-6-propan-2-ylphenol has a molecular weight of 191.23 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-3-methyl-6-propan-2-ylphenol is sourced from PubChem (CID 151735822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).