1-phenylmethoxy-3-[5-(phenylmethoxymethyl)triazol-1-yl]propan-2-ol

C20H23N3O3 — CID 135022382

IUPAC1-phenylmethoxy-3-[5-(phenylmethoxymethyl)triazol-1-yl]propan-2-ol
SMILESOC(COCc1ccccc1)Cn1nncc1COCc1ccccc1
InChIInChI=1S/C20H23N3O3/c24-20(16-26-14-18-9-5-2-6-10-18)12-23-19(11-21-22-23)15-25-13-17-7-3-1-4-8-17/h1-11,20,24H,12-16H2
InChIKeyJOASQTJKBNQPJY-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.57
Rot. Bonds10

About 1-phenylmethoxy-3-[5-(phenylmethoxymethyl)triazol-1-yl]propan-2-ol

1-phenylmethoxy-3-[5-(phenylmethoxymethyl)triazol-1-yl]propan-2-ol (PubChem CID 135022382) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-phenylmethoxy-3-[5-(phenylmethoxymethyl)triazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-phenylmethoxy-3-[5-(phenylmethoxymethyl)triazol-1-yl]propan-2-ol
PubChem CID135022382
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-phenylmethoxy-3-[5-(phenylmethoxymethyl)triazol-1-yl]propan-2-ol
SMILESOC(COCc1ccccc1)Cn1nncc1COCc1ccccc1
InChIInChI=1S/C20H23N3O3/c24-20(16-26-14-18-9-5-2-6-10-18)12-23-19(11-21-22-23)15-25-13-17-7-3-1-4-8-17/h1-11,20,24H,12-16H2
InChIKeyJOASQTJKBNQPJY-UHFFFAOYSA-N
XLogP2.57
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-3-[5-(phenylmethoxymethyl)triazol-1-yl]propan-2-ol?
The IUPAC name of 1-phenylmethoxy-3-[5-(phenylmethoxymethyl)triazol-1-yl]propan-2-ol (CID 135022382) is 1-phenylmethoxy-3-[5-(phenylmethoxymethyl)triazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-phenylmethoxy-3-[5-(phenylmethoxymethyl)triazol-1-yl]propan-2-ol?
The canonical SMILES for 1-phenylmethoxy-3-[5-(phenylmethoxymethyl)triazol-1-yl]propan-2-ol is OC(COCc1ccccc1)Cn1nncc1COCc1ccccc1.
What is the InChIKey of 1-phenylmethoxy-3-[5-(phenylmethoxymethyl)triazol-1-yl]propan-2-ol?
The InChIKey is JOASQTJKBNQPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-20(16-26-14-18-9-5-2-6-10-18)12-23-19(11-21-22-23)15-25-13-17-7-3-1-4-8-17/h1-11,20,24H,12-16H2.
What are the key properties of 1-phenylmethoxy-3-[5-(phenylmethoxymethyl)triazol-1-yl]propan-2-ol?
1-phenylmethoxy-3-[5-(phenylmethoxymethyl)triazol-1-yl]propan-2-ol has a molecular weight of 353.42 g/mol, XLogP of 2.57, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-3-[5-(phenylmethoxymethyl)triazol-1-yl]propan-2-ol is sourced from PubChem (CID 135022382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).