2-methoxy-6-[2-(1-phenyltriazol-4-yl)ethyl]phenol

C17H17N3O2 — CID 112718421

IUPAC2-methoxy-6-[2-(1-phenyltriazol-4-yl)ethyl]phenol
SMILESCOc1cccc(CCc2cn(-c3ccccc3)nn2)c1O
InChIInChI=1S/C17H17N3O2/c1-22-16-9-5-6-13(17(16)21)10-11-14-12-20(19-18-14)15-7-3-2-4-8-15/h2-9,12,21H,10-11H2,1H3
InChIKeyVUAIROLLBNZSJN-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.77
Rot. Bonds5

About 2-methoxy-6-[2-(1-phenyltriazol-4-yl)ethyl]phenol

2-methoxy-6-[2-(1-phenyltriazol-4-yl)ethyl]phenol (PubChem CID 112718421) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-methoxy-6-[2-(1-phenyltriazol-4-yl)ethyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[2-(1-phenyltriazol-4-yl)ethyl]phenol
PubChem CID112718421
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-methoxy-6-[2-(1-phenyltriazol-4-yl)ethyl]phenol
SMILESCOc1cccc(CCc2cn(-c3ccccc3)nn2)c1O
InChIInChI=1S/C17H17N3O2/c1-22-16-9-5-6-13(17(16)21)10-11-14-12-20(19-18-14)15-7-3-2-4-8-15/h2-9,12,21H,10-11H2,1H3
InChIKeyVUAIROLLBNZSJN-UHFFFAOYSA-N
XLogP2.77
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-1-[2-(1-phenyltriazol-4-yl)ethyl]pyridin-2-one
CID 71139758
2-(1-phenyltriazol-4-yl)ethanol
CID 62400146
4-[2-(3,5-dimethylphenyl)ethyl]-1-phenyltriazole
CID 112717224
3-methoxy-1-[(1-phenyltriazol-4-yl)methyl]pyridine-2-thione
CID 71138910
4-butyl-1-phenyltriazole
CID 25191665
3-(1-phenyltriazol-4-yl)propanoic acid
CID 15619013
2-methoxy-6-[[(1-phenyltetrazol-5-yl)amino]methyl]phenol
CID 133448175
ethane;2-methoxy-6-propylphenol
CID 142869062
N-[(2,3-dimethoxyphenyl)methyl]-1-phenyltriazole-4-carboxamide
CID 46546722
4-[(2-chlorophenoxy)methyl]-1-phenyltriazole
CID 3065713
4-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenyltriazole
CID 56898354
3-[1-(2-methoxyphenyl)triazol-4-yl]propan-1-amine
CID 84695827

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[2-(1-phenyltriazol-4-yl)ethyl]phenol?
The IUPAC name of 2-methoxy-6-[2-(1-phenyltriazol-4-yl)ethyl]phenol (CID 112718421) is 2-methoxy-6-[2-(1-phenyltriazol-4-yl)ethyl]phenol.
What is the SMILES notation for 2-methoxy-6-[2-(1-phenyltriazol-4-yl)ethyl]phenol?
The canonical SMILES for 2-methoxy-6-[2-(1-phenyltriazol-4-yl)ethyl]phenol is COc1cccc(CCc2cn(-c3ccccc3)nn2)c1O.
What is the InChIKey of 2-methoxy-6-[2-(1-phenyltriazol-4-yl)ethyl]phenol?
The InChIKey is VUAIROLLBNZSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-22-16-9-5-6-13(17(16)21)10-11-14-12-20(19-18-14)15-7-3-2-4-8-15/h2-9,12,21H,10-11H2,1H3.
What are the key properties of 2-methoxy-6-[2-(1-phenyltriazol-4-yl)ethyl]phenol?
2-methoxy-6-[2-(1-phenyltriazol-4-yl)ethyl]phenol has a molecular weight of 295.34 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[2-(1-phenyltriazol-4-yl)ethyl]phenol is sourced from PubChem (CID 112718421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).