(S)-[1-benzyl-5-[(S)-hydroxy(phenyl)methyl]triazol-4-yl]-phenylmethanol

C23H21N3O2 — CID 126090318

IUPAC(S)-[1-benzyl-5-[(S)-hydroxy(phenyl)methyl]triazol-4-yl]-phenylmethanol
SMILESO[C@@H](c1ccccc1)c1nnn(Cc2ccccc2)c1[C@@H](O)c1ccccc1
InChIInChI=1S/C23H21N3O2/c27-22(18-12-6-2-7-13-18)20-21(23(28)19-14-8-3-9-15-19)26(25-24-20)16-17-10-4-1-5-11-17/h1-15,22-23,27-28H,16H2/t22-,23-/m0/s1
InChIKeyLYAFEQNFHYNIPG-GOTSBHOMSA-N
MW371.44 g/mol
LogP3.49
Rot. Bonds6

About (S)-[1-benzyl-5-[(S)-hydroxy(phenyl)methyl]triazol-4-yl]-phenylmethanol

(S)-[1-benzyl-5-[(S)-hydroxy(phenyl)methyl]triazol-4-yl]-phenylmethanol (PubChem CID 126090318) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is (S)-[1-benzyl-5-[(S)-hydroxy(phenyl)methyl]triazol-4-yl]-phenylmethanol.

Molecular Properties

Compound Name(S)-[1-benzyl-5-[(S)-hydroxy(phenyl)methyl]triazol-4-yl]-phenylmethanol
PubChem CID126090318
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name(S)-[1-benzyl-5-[(S)-hydroxy(phenyl)methyl]triazol-4-yl]-phenylmethanol
SMILESO[C@@H](c1ccccc1)c1nnn(Cc2ccccc2)c1[C@@H](O)c1ccccc1
InChIInChI=1S/C23H21N3O2/c27-22(18-12-6-2-7-13-18)20-21(23(28)19-14-8-3-9-15-19)26(25-24-20)16-17-10-4-1-5-11-17/h1-15,22-23,27-28H,16H2/t22-,23-/m0/s1
InChIKeyLYAFEQNFHYNIPG-GOTSBHOMSA-N
XLogP3.49
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-6-chloro-4-[hydroxy(phenyl)methyl]pyridazin-3-one
CID 53475593
1-benzyl-5-[3-benzyl-5-[(1R)-1-phenoxyethyl]triazol-4-yl]-4-[(1R)-1-phenoxyethyl]triazole
CID 16745923
1-benzyl-5-chlorotriazole-4-carbaldehyde
CID 13413902
1-[2-benzyl-5-[(S)-hydroxy(phenyl)methyl]-1,2,4-triazol-3-yl]cyclopropane-1-carboxamide
CID 97281598
2-(3-benzyl-5-ethyltriazol-4-yl)ethanol
CID 127052472
(1-benzylindazol-3-yl)methanediol
CID 71016643
(1-benzyl-2,3-dihydropyrrol-4-yl)-phenylmethanol
CID 162399863
(1,5-dibenzyltriazol-4-yl)methanamine
CID 82203152
1-benzyl-5-chlorotetrazole
CID 46835417
(1-benzyltriazol-4-yl)-naphthalen-2-ylmethanol
CID 134157197
1-benzyl-5-methyl-4-prop-1-en-2-yltriazole
CID 134911995
1-benzyl-5-chlorotriazole-4-carboxylate
CID 5227563

Frequently Asked Questions

What is the IUPAC name of (S)-[1-benzyl-5-[(S)-hydroxy(phenyl)methyl]triazol-4-yl]-phenylmethanol?
The IUPAC name of (S)-[1-benzyl-5-[(S)-hydroxy(phenyl)methyl]triazol-4-yl]-phenylmethanol (CID 126090318) is (S)-[1-benzyl-5-[(S)-hydroxy(phenyl)methyl]triazol-4-yl]-phenylmethanol.
What is the SMILES notation for (S)-[1-benzyl-5-[(S)-hydroxy(phenyl)methyl]triazol-4-yl]-phenylmethanol?
The canonical SMILES for (S)-[1-benzyl-5-[(S)-hydroxy(phenyl)methyl]triazol-4-yl]-phenylmethanol is O[C@@H](c1ccccc1)c1nnn(Cc2ccccc2)c1[C@@H](O)c1ccccc1.
What is the InChIKey of (S)-[1-benzyl-5-[(S)-hydroxy(phenyl)methyl]triazol-4-yl]-phenylmethanol?
The InChIKey is LYAFEQNFHYNIPG-GOTSBHOMSA-N. The full InChI is InChI=1S/C23H21N3O2/c27-22(18-12-6-2-7-13-18)20-21(23(28)19-14-8-3-9-15-19)26(25-24-20)16-17-10-4-1-5-11-17/h1-15,22-23,27-28H,16H2/t22-,23-/m0/s1.
What are the key properties of (S)-[1-benzyl-5-[(S)-hydroxy(phenyl)methyl]triazol-4-yl]-phenylmethanol?
(S)-[1-benzyl-5-[(S)-hydroxy(phenyl)methyl]triazol-4-yl]-phenylmethanol has a molecular weight of 371.44 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[1-benzyl-5-[(S)-hydroxy(phenyl)methyl]triazol-4-yl]-phenylmethanol is sourced from PubChem (CID 126090318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).