[2-(benzotriazol-1-ylmethoxy)phenyl]-phenylmethanone

C20H15N3O2 — CID 3629697

IUPAC[2-(benzotriazol-1-ylmethoxy)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1OCn1nnc2ccccc21
InChIInChI=1S/C20H15N3O2/c24-20(15-8-2-1-3-9-15)16-10-4-7-13-19(16)25-14-23-18-12-6-5-11-17(18)21-22-23/h1-13H,14H2
InChIKeyLPXPCPVLFIWGTB-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.70
Rot. Bonds5

About [2-(benzotriazol-1-ylmethoxy)phenyl]-phenylmethanone

[2-(benzotriazol-1-ylmethoxy)phenyl]-phenylmethanone (PubChem CID 3629697) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is [2-(benzotriazol-1-ylmethoxy)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(benzotriazol-1-ylmethoxy)phenyl]-phenylmethanone
PubChem CID3629697
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name[2-(benzotriazol-1-ylmethoxy)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1OCn1nnc2ccccc21
InChIInChI=1S/C20H15N3O2/c24-20(15-8-2-1-3-9-15)16-10-4-7-13-19(16)25-14-23-18-12-6-5-11-17(18)21-22-23/h1-13H,14H2
InChIKeyLPXPCPVLFIWGTB-UHFFFAOYSA-N
XLogP3.70
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(benzotriazol-1-ylmethoxy)phenyl]-phenylmethanone?
The IUPAC name of [2-(benzotriazol-1-ylmethoxy)phenyl]-phenylmethanone (CID 3629697) is [2-(benzotriazol-1-ylmethoxy)phenyl]-phenylmethanone.
What is the SMILES notation for [2-(benzotriazol-1-ylmethoxy)phenyl]-phenylmethanone?
The canonical SMILES for [2-(benzotriazol-1-ylmethoxy)phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccccc1OCn1nnc2ccccc21.
What is the InChIKey of [2-(benzotriazol-1-ylmethoxy)phenyl]-phenylmethanone?
The InChIKey is LPXPCPVLFIWGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c24-20(15-8-2-1-3-9-15)16-10-4-7-13-19(16)25-14-23-18-12-6-5-11-17(18)21-22-23/h1-13H,14H2.
What are the key properties of [2-(benzotriazol-1-ylmethoxy)phenyl]-phenylmethanone?
[2-(benzotriazol-1-ylmethoxy)phenyl]-phenylmethanone has a molecular weight of 329.36 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzotriazol-1-ylmethoxy)phenyl]-phenylmethanone is sourced from PubChem (CID 3629697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).