3-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]phenol

C16H15N3O3 — CID 166366791

IUPAC3-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]phenol
SMILESOc1cccc(Cn2cc(COc3cccc(O)c3)nn2)c1
InChIInChI=1S/C16H15N3O3/c20-14-4-1-3-12(7-14)9-19-10-13(17-18-19)11-22-16-6-2-5-15(21)8-16/h1-8,10,20-21H,9,11H2
InChIKeyDAABEOMZEHLGJM-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.32
Rot. Bonds5

About 3-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]phenol

3-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]phenol (PubChem CID 166366791) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]phenol
PubChem CID166366791
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name3-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]phenol
SMILESOc1cccc(Cn2cc(COc3cccc(O)c3)nn2)c1
InChIInChI=1S/C16H15N3O3/c20-14-4-1-3-12(7-14)9-19-10-13(17-18-19)11-22-16-6-2-5-15(21)8-16/h1-8,10,20-21H,9,11H2
InChIKeyDAABEOMZEHLGJM-UHFFFAOYSA-N
XLogP2.32
TPSA80.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[1-[(2-tert-butylpyrimidin-5-yl)methyl]triazol-4-yl]methoxy]phenol
CID 166267088
3-[[1-(2H-triazol-4-ylmethyl)triazol-4-yl]methoxy]phenol
CID 167992744
3-[[1-(1H-imidazol-5-ylmethyl)triazol-4-yl]methoxy]phenol
CID 166366605
3-[[1-[[5-(aminomethyl)-1,3-oxazol-4-yl]methyl]triazol-4-yl]methoxy]phenol
CID 167791251
3-[[1-[(8-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol
CID 166366593
3-[[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol
CID 166366746
4-[(3-nitrophenoxy)methyl]-1-[(4-nitrophenyl)methyl]triazole
CID 127038779
3-[[4-(4-hydroxyphenyl)triazol-1-yl]methyl]phenol
CID 57390248
4-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]benzamide
CID 166366840
1-[(4-iodophenyl)methyl]-4-(phenoxymethyl)triazole
CID 169095528
N-[[5-(difluoromethyl)-1,3-oxazol-4-yl]methyl]-5-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]furan-2-carboxamide
CID 166366776
5-[1-[(3-hydroxyphenyl)methyl]triazol-4-yl]benzene-1,3-diol
CID 57399005

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]phenol?
The IUPAC name of 3-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]phenol (CID 166366791) is 3-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]phenol?
The canonical SMILES for 3-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]phenol is Oc1cccc(Cn2cc(COc3cccc(O)c3)nn2)c1.
What is the InChIKey of 3-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]phenol?
The InChIKey is DAABEOMZEHLGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-14-4-1-3-12(7-14)9-19-10-13(17-18-19)11-22-16-6-2-5-15(21)8-16/h1-8,10,20-21H,9,11H2.
What are the key properties of 3-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]phenol?
3-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]phenol has a molecular weight of 297.31 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]phenol is sourced from PubChem (CID 166366791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).