(R)-(5-benzyl-1H-1,2,4-triazol-3-yl)-(4-methoxyphenyl)methanol

C17H17N3O2 — CID 95122673

IUPAC(R)-(5-benzyl-1H-1,2,4-triazol-3-yl)-(4-methoxyphenyl)methanol
SMILESCOc1ccc([C@@H](O)c2n[nH]c(Cc3ccccc3)n2)cc1
InChIInChI=1S/C17H17N3O2/c1-22-14-9-7-13(8-10-14)16(21)17-18-15(19-20-17)11-12-5-3-2-4-6-12/h2-10,16,21H,11H2,1H3,(H,18,19,20)/t16-/m1/s1
InChIKeyNDAGCBHPEZWFNH-MRXNPFEDSA-N
MW295.34 g/mol
LogP2.49
Rot. Bonds5

About (R)-(5-benzyl-1H-1,2,4-triazol-3-yl)-(4-methoxyphenyl)methanol

(R)-(5-benzyl-1H-1,2,4-triazol-3-yl)-(4-methoxyphenyl)methanol (PubChem CID 95122673) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is (R)-(5-benzyl-1H-1,2,4-triazol-3-yl)-(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(R)-(5-benzyl-1H-1,2,4-triazol-3-yl)-(4-methoxyphenyl)methanol
PubChem CID95122673
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name(R)-(5-benzyl-1H-1,2,4-triazol-3-yl)-(4-methoxyphenyl)methanol
SMILESCOc1ccc([C@@H](O)c2n[nH]c(Cc3ccccc3)n2)cc1
InChIInChI=1S/C17H17N3O2/c1-22-14-9-7-13(8-10-14)16(21)17-18-15(19-20-17)11-12-5-3-2-4-6-12/h2-10,16,21H,11H2,1H3,(H,18,19,20)/t16-/m1/s1
InChIKeyNDAGCBHPEZWFNH-MRXNPFEDSA-N
XLogP2.49
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)-(2H-tetrazol-5-yl)methanol
CID 134897503
[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol
CID 79600800
N-[[3-[(S)-amino-(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-5-yl]methyl]aniline
CID 97287472
2-[3-[hydroxy(phenyl)methyl]-1H-1,2,4-triazol-5-yl]ethyl formate
CID 175359865
2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
CID 8708070
[4-(4-methoxyphenyl)phenyl]-phenylmethanol
CID 141264274
3-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 46997417
(R)-(4-methoxyphenyl)-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methanamine
CID 97287536
1-deuterio-1-(4-methoxyphenyl)-2-phenylethanol
CID 135063762
(4-methoxyphenyl)-(4-methylquinolin-2-yl)methanol
CID 114754870
5-benzyl-N-methyl-1H-1,2,4-triazol-3-amine
CID 172619623
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604

Frequently Asked Questions

What is the IUPAC name of (R)-(5-benzyl-1H-1,2,4-triazol-3-yl)-(4-methoxyphenyl)methanol?
The IUPAC name of (R)-(5-benzyl-1H-1,2,4-triazol-3-yl)-(4-methoxyphenyl)methanol (CID 95122673) is (R)-(5-benzyl-1H-1,2,4-triazol-3-yl)-(4-methoxyphenyl)methanol.
What is the SMILES notation for (R)-(5-benzyl-1H-1,2,4-triazol-3-yl)-(4-methoxyphenyl)methanol?
The canonical SMILES for (R)-(5-benzyl-1H-1,2,4-triazol-3-yl)-(4-methoxyphenyl)methanol is COc1ccc([C@@H](O)c2n[nH]c(Cc3ccccc3)n2)cc1.
What is the InChIKey of (R)-(5-benzyl-1H-1,2,4-triazol-3-yl)-(4-methoxyphenyl)methanol?
The InChIKey is NDAGCBHPEZWFNH-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-22-14-9-7-13(8-10-14)16(21)17-18-15(19-20-17)11-12-5-3-2-4-6-12/h2-10,16,21H,11H2,1H3,(H,18,19,20)/t16-/m1/s1.
What are the key properties of (R)-(5-benzyl-1H-1,2,4-triazol-3-yl)-(4-methoxyphenyl)methanol?
(R)-(5-benzyl-1H-1,2,4-triazol-3-yl)-(4-methoxyphenyl)methanol has a molecular weight of 295.34 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(5-benzyl-1H-1,2,4-triazol-3-yl)-(4-methoxyphenyl)methanol is sourced from PubChem (CID 95122673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).