(2,4,6-trichlorophenyl) 2-hydroxybenzoate

C13H7Cl3O3 — CID 23297410

IUPAC(2,4,6-trichlorophenyl) 2-hydroxybenzoate
SMILESO=C(Oc1c(Cl)cc(Cl)cc1Cl)c1ccccc1O
InChIInChI=1S/C13H7Cl3O3/c14-7-5-9(15)12(10(16)6-7)19-13(18)8-3-1-2-4-11(8)17/h1-6,17H
InChIKeySFPHCLSJMWGJBT-UHFFFAOYSA-N
MW317.56 g/mol
LogP4.57
Rot. Bonds2

About (2,4,6-trichlorophenyl) 2-hydroxybenzoate

(2,4,6-trichlorophenyl) 2-hydroxybenzoate (PubChem CID 23297410) has the molecular formula C13H7Cl3O3 and a molecular weight of 317.56 g/mol. Its IUPAC name is (2,4,6-trichlorophenyl) 2-hydroxybenzoate.

Molecular Properties

Compound Name(2,4,6-trichlorophenyl) 2-hydroxybenzoate
PubChem CID23297410
Molecular FormulaC13H7Cl3O3
Molecular Weight317.56 g/mol
Exact Mass315.95
IUPAC Name(2,4,6-trichlorophenyl) 2-hydroxybenzoate
SMILESO=C(Oc1c(Cl)cc(Cl)cc1Cl)c1ccccc1O
InChIInChI=1S/C13H7Cl3O3/c14-7-5-9(15)12(10(16)6-7)19-13(18)8-3-1-2-4-11(8)17/h1-6,17H
InChIKeySFPHCLSJMWGJBT-UHFFFAOYSA-N
XLogP4.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.56
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2,4,6-trichlorophenyl) benzene-1,2-dicarboxylate
CID 54423741
(3,5-dichlorophenyl) 2-hydroxybenzoate
CID 157309463
(2,4-dichlorophenyl) 2-hydroxybenzoate
CID 520433
3,6-dichloro-2-(2-hydroxybenzoyl)oxybenzoic acid
CID 91431228
(2,4,6-trichlorophenyl) N-(2-hydroxybenzoyl)sulfamate
CID 136664296
(2-chlorophenyl) 5-chloro-2-hydroxybenzoate
CID 71318938
(2-bromo-4,6-dichlorophenyl) benzoate
CID 23010908
[(2R)-1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl] 2-hydroxybenzoate
CID 7797906
(2,3,4,5,6-pentafluorophenyl) 2-chlorobenzoate
CID 71348420
2-[3-(2-carboxy-4,6-dichlorophenoxy)carbonylbenzoyl]oxy-3,5-dichlorobenzoic acid
CID 176845676
(2,4,6-trichlorophenyl) 3-methyl-1,2-oxazole-5-carboxylate
CID 55386516
2-(5-chloro-2-hydroxybenzoyl)oxybenzoic acid
CID 54253001

Frequently Asked Questions

What is the IUPAC name of (2,4,6-trichlorophenyl) 2-hydroxybenzoate?
The IUPAC name of (2,4,6-trichlorophenyl) 2-hydroxybenzoate (CID 23297410) is (2,4,6-trichlorophenyl) 2-hydroxybenzoate.
What is the SMILES notation for (2,4,6-trichlorophenyl) 2-hydroxybenzoate?
The canonical SMILES for (2,4,6-trichlorophenyl) 2-hydroxybenzoate is O=C(Oc1c(Cl)cc(Cl)cc1Cl)c1ccccc1O.
What is the InChIKey of (2,4,6-trichlorophenyl) 2-hydroxybenzoate?
The InChIKey is SFPHCLSJMWGJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3O3/c14-7-5-9(15)12(10(16)6-7)19-13(18)8-3-1-2-4-11(8)17/h1-6,17H.
What are the key properties of (2,4,6-trichlorophenyl) 2-hydroxybenzoate?
(2,4,6-trichlorophenyl) 2-hydroxybenzoate has a molecular weight of 317.56 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trichlorophenyl) 2-hydroxybenzoate is sourced from PubChem (CID 23297410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).