4-[5-benzyl-4-(hydroxymethyl)triazol-1-yl]phenol

C16H15N3O2 — CID 82194898

IUPAC4-[5-benzyl-4-(hydroxymethyl)triazol-1-yl]phenol
SMILESOCc1nnn(-c2ccc(O)cc2)c1Cc1ccccc1
InChIInChI=1S/C16H15N3O2/c20-11-15-16(10-12-4-2-1-3-5-12)19(18-17-15)13-6-8-14(21)9-7-13/h1-9,20-21H,10-11H2
InChIKeyBCCOPCCMGGVYKG-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.06
Rot. Bonds4

About 4-[5-benzyl-4-(hydroxymethyl)triazol-1-yl]phenol

4-[5-benzyl-4-(hydroxymethyl)triazol-1-yl]phenol (PubChem CID 82194898) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-[5-benzyl-4-(hydroxymethyl)triazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-benzyl-4-(hydroxymethyl)triazol-1-yl]phenol
PubChem CID82194898
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name4-[5-benzyl-4-(hydroxymethyl)triazol-1-yl]phenol
SMILESOCc1nnn(-c2ccc(O)cc2)c1Cc1ccccc1
InChIInChI=1S/C16H15N3O2/c20-11-15-16(10-12-4-2-1-3-5-12)19(18-17-15)13-6-8-14(21)9-7-13/h1-9,20-21H,10-11H2
InChIKeyBCCOPCCMGGVYKG-UHFFFAOYSA-N
XLogP2.06
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-benzyl-1-(4-hydroxyphenyl)triazole-4-carboxylic acid
CID 82201306
4-[5-(2-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]phenol
CID 82194910
[5-benzyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanol
CID 94962795
[5-benzyl-1-(5-chloro-2-methylphenyl)triazol-4-yl]methanol
CID 94937113
4-[4-(aminomethyl)-5-benzyltriazol-1-yl]-N,N-dimethylaniline
CID 94939643
[5-benzyl-1-(3-phenylpropyl)triazol-4-yl]methanol
CID 94944856
(5-benzyl-1-butyltriazol-4-yl)methanol
CID 82205364
5-benzyl-1-(4-fluorophenyl)triazole-4-carboxylic acid
CID 82201307
bis(benzene-1,4-diol);benzylbenzene
CID 159915102
[1-(3,4-dimethylphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol
CID 94936961
[1-(3-methoxyphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol
CID 94937701
[5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]methanol
CID 82197597

Frequently Asked Questions

What is the IUPAC name of 4-[5-benzyl-4-(hydroxymethyl)triazol-1-yl]phenol?
The IUPAC name of 4-[5-benzyl-4-(hydroxymethyl)triazol-1-yl]phenol (CID 82194898) is 4-[5-benzyl-4-(hydroxymethyl)triazol-1-yl]phenol.
What is the SMILES notation for 4-[5-benzyl-4-(hydroxymethyl)triazol-1-yl]phenol?
The canonical SMILES for 4-[5-benzyl-4-(hydroxymethyl)triazol-1-yl]phenol is OCc1nnn(-c2ccc(O)cc2)c1Cc1ccccc1.
What is the InChIKey of 4-[5-benzyl-4-(hydroxymethyl)triazol-1-yl]phenol?
The InChIKey is BCCOPCCMGGVYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-11-15-16(10-12-4-2-1-3-5-12)19(18-17-15)13-6-8-14(21)9-7-13/h1-9,20-21H,10-11H2.
What are the key properties of 4-[5-benzyl-4-(hydroxymethyl)triazol-1-yl]phenol?
4-[5-benzyl-4-(hydroxymethyl)triazol-1-yl]phenol has a molecular weight of 281.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-benzyl-4-(hydroxymethyl)triazol-1-yl]phenol is sourced from PubChem (CID 82194898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).