[5-(5-chlorobenzotriazol-2-yl)-2,4-dihydroxyphenyl]-(2,4-dihydroxyphenyl)methanone

C19H12ClN3O5 — CID 102195710

IUPAC[5-(5-chlorobenzotriazol-2-yl)-2,4-dihydroxyphenyl]-(2,4-dihydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1O)c1cc(-n2nc3ccc(Cl)cc3n2)c(O)cc1O
InChIInChI=1S/C19H12ClN3O5/c20-9-1-4-13-14(5-9)22-23(21-13)15-7-12(17(26)8-18(15)27)19(28)11-3-2-10(24)6-16(11)25/h1-8,24-27H
InChIKeyUXFJBJLLFGKIHF-UHFFFAOYSA-N
MW397.77 g/mol
LogP3.13
Rot. Bonds3

About [5-(5-chlorobenzotriazol-2-yl)-2,4-dihydroxyphenyl]-(2,4-dihydroxyphenyl)methanone

[5-(5-chlorobenzotriazol-2-yl)-2,4-dihydroxyphenyl]-(2,4-dihydroxyphenyl)methanone (PubChem CID 102195710) has the molecular formula C19H12ClN3O5 and a molecular weight of 397.77 g/mol. Its IUPAC name is [5-(5-chlorobenzotriazol-2-yl)-2,4-dihydroxyphenyl]-(2,4-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name[5-(5-chlorobenzotriazol-2-yl)-2,4-dihydroxyphenyl]-(2,4-dihydroxyphenyl)methanone
PubChem CID102195710
Molecular FormulaC19H12ClN3O5
Molecular Weight397.77 g/mol
Exact Mass397.05
IUPAC Name[5-(5-chlorobenzotriazol-2-yl)-2,4-dihydroxyphenyl]-(2,4-dihydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1O)c1cc(-n2nc3ccc(Cl)cc3n2)c(O)cc1O
InChIInChI=1S/C19H12ClN3O5/c20-9-1-4-13-14(5-9)22-23(21-13)15-7-12(17(26)8-18(15)27)19(28)11-3-2-10(24)6-16(11)25/h1-8,24-27H
InChIKeyUXFJBJLLFGKIHF-UHFFFAOYSA-N
XLogP3.13
TPSA128.70 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.77
LogP ≤ 53.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze [5-(5-chlorobenzotriazol-2-yl)-2,4-dihydroxyphenyl]-(2,4-dihydroxyphenyl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

4-[2,4-dihydroxy-5-(5-hydroxybenzotriazol-2-yl)benzoyl]-5-hydroxy-2-(5-hydroxybenzotriazol-2-yl)benzaldehyde
CID 154704586
bis[2,4-dihydroxy-5-(5-methylbenzotriazol-2-yl)phenyl]methanone
CID 102195712
[4-[5-(benzotriazol-2-yl)-2,4-dihydroxybenzoyl]-3-hydroxyphenyl] prop-2-enoate
CID 22964453
1-[5-(benzotriazol-2-yl)-2,4-dihydroxyphenyl]ethanone
CID 102011466
4-tert-butyl-2-(5-chlorobenzotriazol-2-yl)phenol
CID 3014188
1-[3-(5-chlorobenzotriazol-2-yl)-2-hydroxy-5-methylphenyl]ethanone
CID 66970050
2-(benzotriazol-2-yl)-4-hydroxybenzoyl chloride
CID 118468868
2-(5-chlorobenzotriazol-2-yl)-5-(ethylamino)-4-methylphenol
CID 168899497
2-(5-chlorobenzotriazol-2-yl)-4-prop-2-enylphenol
CID 70631228
3-[2-(2,4-dihydroxyphenyl)benzotriazol-5-yl]benzene-1,2-diol
CID 175435635
2,3-ditert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol
CID 22165805
N-[4-(5-chlorobenzotriazol-2-yl)-3-hydroxyphenyl]-2,2-dimethylbutanamide
CID 166031560

Frequently Asked Questions

What is the IUPAC name of [5-(5-chlorobenzotriazol-2-yl)-2,4-dihydroxyphenyl]-(2,4-dihydroxyphenyl)methanone?
The IUPAC name of [5-(5-chlorobenzotriazol-2-yl)-2,4-dihydroxyphenyl]-(2,4-dihydroxyphenyl)methanone (CID 102195710) is [5-(5-chlorobenzotriazol-2-yl)-2,4-dihydroxyphenyl]-(2,4-dihydroxyphenyl)methanone.
What is the SMILES notation for [5-(5-chlorobenzotriazol-2-yl)-2,4-dihydroxyphenyl]-(2,4-dihydroxyphenyl)methanone?
The canonical SMILES for [5-(5-chlorobenzotriazol-2-yl)-2,4-dihydroxyphenyl]-(2,4-dihydroxyphenyl)methanone is O=C(c1ccc(O)cc1O)c1cc(-n2nc3ccc(Cl)cc3n2)c(O)cc1O.
What is the InChIKey of [5-(5-chlorobenzotriazol-2-yl)-2,4-dihydroxyphenyl]-(2,4-dihydroxyphenyl)methanone?
The InChIKey is UXFJBJLLFGKIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O5/c20-9-1-4-13-14(5-9)22-23(21-13)15-7-12(17(26)8-18(15)27)19(28)11-3-2-10(24)6-16(11)25/h1-8,24-27H.
What are the key properties of [5-(5-chlorobenzotriazol-2-yl)-2,4-dihydroxyphenyl]-(2,4-dihydroxyphenyl)methanone?
[5-(5-chlorobenzotriazol-2-yl)-2,4-dihydroxyphenyl]-(2,4-dihydroxyphenyl)methanone has a molecular weight of 397.77 g/mol, XLogP of 3.13, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-chlorobenzotriazol-2-yl)-2,4-dihydroxyphenyl]-(2,4-dihydroxyphenyl)methanone is sourced from PubChem (CID 102195710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).