2-methoxy-6-(3-propyltriazol-4-yl)phenol

C12H15N3O2 — CID 136993172

IUPAC2-methoxy-6-(3-propyltriazol-4-yl)phenol
SMILESCCCn1nncc1-c1cccc(OC)c1O
InChIInChI=1S/C12H15N3O2/c1-3-7-15-10(8-13-14-15)9-5-4-6-11(17-2)12(9)16/h4-6,8,16H,3,7H2,1-2H3
InChIKeyULOYAXXFXYFGMS-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.07
Rot. Bonds4

About 2-methoxy-6-(3-propyltriazol-4-yl)phenol

2-methoxy-6-(3-propyltriazol-4-yl)phenol (PubChem CID 136993172) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-methoxy-6-(3-propyltriazol-4-yl)phenol.

Molecular Properties

Compound Name2-methoxy-6-(3-propyltriazol-4-yl)phenol
PubChem CID136993172
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-methoxy-6-(3-propyltriazol-4-yl)phenol
SMILESCCCn1nncc1-c1cccc(OC)c1O
InChIInChI=1S/C12H15N3O2/c1-3-7-15-10(8-13-14-15)9-5-4-6-11(17-2)12(9)16/h4-6,8,16H,3,7H2,1-2H3
InChIKeyULOYAXXFXYFGMS-UHFFFAOYSA-N
XLogP2.07
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-6-(1-methylpyrazol-4-yl)phenol
CID 83130518
2-(3-propyltriazol-4-yl)pyridin-3-ol
CID 136993168
2-(2-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686339
N-[(2-methoxyphenyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114686864
3-hydroxy-4-(3-propyltriazol-4-yl)benzoic acid
CID 136886181
4-(3-propyltriazol-4-yl)-2,3-dihydro-1H-inden-1-amine
CID 114081115
4-(3-propyltriazol-4-yl)aniline
CID 82205210
disodium bis(5-[5-(2-hydroxyphenyl)triazol-1-yl]pentanoate)
CID 137227826
5-(2-hydroxy-3-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136998005
2-methoxy-6-(4-propylphenyl)phenol
CID 83130224
(3,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684701
3-(3-propyltriazol-4-yl)benzaldehyde
CID 114689705

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(3-propyltriazol-4-yl)phenol?
The IUPAC name of 2-methoxy-6-(3-propyltriazol-4-yl)phenol (CID 136993172) is 2-methoxy-6-(3-propyltriazol-4-yl)phenol.
What is the SMILES notation for 2-methoxy-6-(3-propyltriazol-4-yl)phenol?
The canonical SMILES for 2-methoxy-6-(3-propyltriazol-4-yl)phenol is CCCn1nncc1-c1cccc(OC)c1O.
What is the InChIKey of 2-methoxy-6-(3-propyltriazol-4-yl)phenol?
The InChIKey is ULOYAXXFXYFGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-3-7-15-10(8-13-14-15)9-5-4-6-11(17-2)12(9)16/h4-6,8,16H,3,7H2,1-2H3.
What are the key properties of 2-methoxy-6-(3-propyltriazol-4-yl)phenol?
2-methoxy-6-(3-propyltriazol-4-yl)phenol has a molecular weight of 233.27 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(3-propyltriazol-4-yl)phenol is sourced from PubChem (CID 136993172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).