[3-(benzotriazol-2-yl)-2-hydroxy-5-pentylphenyl]-phenylmethanone

C24H23N3O2 — CID 66970167

IUPAC[3-(benzotriazol-2-yl)-2-hydroxy-5-pentylphenyl]-phenylmethanone
SMILESCCCCCc1cc(C(=O)c2ccccc2)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C24H23N3O2/c1-2-3-5-10-17-15-19(23(28)18-11-6-4-7-12-18)24(29)22(16-17)27-25-20-13-8-9-14-21(20)26-27/h4,6-9,11-16,29H,2-3,5,10H2,1H3
InChIKeyZPFJDAFNGHLHPE-UHFFFAOYSA-N
MW385.47 g/mol
LogP5.09
Rot. Bonds7

About [3-(benzotriazol-2-yl)-2-hydroxy-5-pentylphenyl]-phenylmethanone

[3-(benzotriazol-2-yl)-2-hydroxy-5-pentylphenyl]-phenylmethanone (PubChem CID 66970167) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is [3-(benzotriazol-2-yl)-2-hydroxy-5-pentylphenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-(benzotriazol-2-yl)-2-hydroxy-5-pentylphenyl]-phenylmethanone
PubChem CID66970167
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name[3-(benzotriazol-2-yl)-2-hydroxy-5-pentylphenyl]-phenylmethanone
SMILESCCCCCc1cc(C(=O)c2ccccc2)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C24H23N3O2/c1-2-3-5-10-17-15-19(23(28)18-11-6-4-7-12-18)24(29)22(16-17)27-25-20-13-8-9-14-21(20)26-27/h4,6-9,11-16,29H,2-3,5,10H2,1H3
InChIKeyZPFJDAFNGHLHPE-UHFFFAOYSA-N
XLogP5.09
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [3-(benzotriazol-2-yl)-2-hydroxy-5-pentylphenyl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(benzotriazol-2-yl)-2-hydroxy-5-pentylphenyl]-phenylmethanone?
The IUPAC name of [3-(benzotriazol-2-yl)-2-hydroxy-5-pentylphenyl]-phenylmethanone (CID 66970167) is [3-(benzotriazol-2-yl)-2-hydroxy-5-pentylphenyl]-phenylmethanone.
What is the SMILES notation for [3-(benzotriazol-2-yl)-2-hydroxy-5-pentylphenyl]-phenylmethanone?
The canonical SMILES for [3-(benzotriazol-2-yl)-2-hydroxy-5-pentylphenyl]-phenylmethanone is CCCCCc1cc(C(=O)c2ccccc2)c(O)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of [3-(benzotriazol-2-yl)-2-hydroxy-5-pentylphenyl]-phenylmethanone?
The InChIKey is ZPFJDAFNGHLHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-2-3-5-10-17-15-19(23(28)18-11-6-4-7-12-18)24(29)22(16-17)27-25-20-13-8-9-14-21(20)26-27/h4,6-9,11-16,29H,2-3,5,10H2,1H3.
What are the key properties of [3-(benzotriazol-2-yl)-2-hydroxy-5-pentylphenyl]-phenylmethanone?
[3-(benzotriazol-2-yl)-2-hydroxy-5-pentylphenyl]-phenylmethanone has a molecular weight of 385.47 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzotriazol-2-yl)-2-hydroxy-5-pentylphenyl]-phenylmethanone is sourced from PubChem (CID 66970167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).