[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'}

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Related Compounds

UV-328
CID 33263
2-(2H-Benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)phenol
CID 112412
2-(2'-Hydroxy-3'5-di-tert-butylphenyl) benzotriazole
CID 77455
4-tert-Butyl-6-sec-butyl-2-(2H-benzotriazol-2-yl)phenol
CID 118327
2-(3'-tert-Butyl-2'-hydroxy-5'-(2-methoxycarbonylethyl)phenyl)benzotriazole
CID 93481
2-(2H-Benzotriazol-2-yl)-6-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)phenol
CID 9803353
2-(2-Hydroxy-3-dodecyl-5-methylphenyl)benzotriazole
CID 86375
3-(3-(2H-Benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl)propionic acid
CID 158619
Benzenepropanoic acid, 3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-, 1,1'-(1,6-hexanediyl) ester
CID 3086183
2-(2H-Benzotriazol-2-yl)-4-methyl-6-(2-propenyl)phenol
CID 735573
Ethanone, 1-(3-(2H-benzotriazol-2-yl)-4-hydroxyphenyl)-
CID 158568
Octyl 3-(3-(2H-benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl)propanoate
CID 9868461

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).