4-(4-propan-2-yltriazol-1-yl)phenol

C11H13N3O — CID 162661917

IUPAC4-(4-propan-2-yltriazol-1-yl)phenol
SMILESCC(C)c1cn(-c2ccc(O)cc2)nn1
InChIInChI=1S/C11H13N3O/c1-8(2)11-7-14(13-12-11)9-3-5-10(15)6-4-9/h3-8,15H,1-2H3
InChIKeyZTMQRBZHNNAVIZ-UHFFFAOYSA-N
MW203.25 g/mol
LogP2.10
Rot. Bonds2

About 4-(4-propan-2-yltriazol-1-yl)phenol

4-(4-propan-2-yltriazol-1-yl)phenol (PubChem CID 162661917) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-(4-propan-2-yltriazol-1-yl)phenol.

Molecular Properties

Compound Name4-(4-propan-2-yltriazol-1-yl)phenol
PubChem CID162661917
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name4-(4-propan-2-yltriazol-1-yl)phenol
SMILESCC(C)c1cn(-c2ccc(O)cc2)nn1
InChIInChI=1S/C11H13N3O/c1-8(2)11-7-14(13-12-11)9-3-5-10(15)6-4-9/h3-8,15H,1-2H3
InChIKeyZTMQRBZHNNAVIZ-UHFFFAOYSA-N
XLogP2.10
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-yltriazol-1-yl)phenol?
The IUPAC name of 4-(4-propan-2-yltriazol-1-yl)phenol (CID 162661917) is 4-(4-propan-2-yltriazol-1-yl)phenol.
What is the SMILES notation for 4-(4-propan-2-yltriazol-1-yl)phenol?
The canonical SMILES for 4-(4-propan-2-yltriazol-1-yl)phenol is CC(C)c1cn(-c2ccc(O)cc2)nn1.
What is the InChIKey of 4-(4-propan-2-yltriazol-1-yl)phenol?
The InChIKey is ZTMQRBZHNNAVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8(2)11-7-14(13-12-11)9-3-5-10(15)6-4-9/h3-8,15H,1-2H3.
What are the key properties of 4-(4-propan-2-yltriazol-1-yl)phenol?
4-(4-propan-2-yltriazol-1-yl)phenol has a molecular weight of 203.25 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-yltriazol-1-yl)phenol is sourced from PubChem (CID 162661917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).