(3,5-dichlorophenyl) 2-hydroxybenzoate

C13H8Cl2O3 — CID 157309463

IUPAC(3,5-dichlorophenyl) 2-hydroxybenzoate
SMILESO=C(Oc1cc(Cl)cc(Cl)c1)c1ccccc1O
InChIInChI=1S/C13H8Cl2O3/c14-8-5-9(15)7-10(6-8)18-13(17)11-3-1-2-4-12(11)16/h1-7,16H
InChIKeyBCWGPYFUZALPEP-UHFFFAOYSA-N
MW283.11 g/mol
LogP3.92
Rot. Bonds2

About (3,5-dichlorophenyl) 2-hydroxybenzoate

(3,5-dichlorophenyl) 2-hydroxybenzoate (PubChem CID 157309463) has the molecular formula C13H8Cl2O3 and a molecular weight of 283.11 g/mol. Its IUPAC name is (3,5-dichlorophenyl) 2-hydroxybenzoate.

Molecular Properties

Compound Name(3,5-dichlorophenyl) 2-hydroxybenzoate
PubChem CID157309463
Molecular FormulaC13H8Cl2O3
Molecular Weight283.11 g/mol
Exact Mass281.99
IUPAC Name(3,5-dichlorophenyl) 2-hydroxybenzoate
SMILESO=C(Oc1cc(Cl)cc(Cl)c1)c1ccccc1O
InChIInChI=1S/C13H8Cl2O3/c14-8-5-9(15)7-10(6-8)18-13(17)11-3-1-2-4-12(11)16/h1-7,16H
InChIKeyBCWGPYFUZALPEP-UHFFFAOYSA-N
XLogP3.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 53.92
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

(2,4,6-trichlorophenyl) 2-hydroxybenzoate
CID 23297410
formaldehyde;phenyl 2-hydroxybenzoate
CID 70193884
(2,4-dichlorophenyl) 2-hydroxybenzoate
CID 520433
(4-phenylphenyl) 2-hydroxybenzoate
CID 19871808
1-O-(3-chlorophenyl) 2-O-(3,5-difluorophenyl) benzene-1,2-dicarboxylate
CID 6425951
bis(2,4,6-trichlorophenyl) benzene-1,2-dicarboxylate
CID 54423741
[3-hydroxy-5-[2-(4-hydroxyphenyl)ethenyl]phenyl] 2-hydroxybenzoate
CID 76698688
2-hydroxybenzoic acid;phenyl 2-hydroxybenzoate;phenylmercury
CID 174770539
benzene-1,4-diol;tris(2-hydroxybenzoic acid);phenyl 2-hydroxybenzoate
CID 161221289
diphenyl 4,6-dihydroxybenzene-1,3-dicarboxylate
CID 154114345
bis(3,5-dichlorophenyl) carbonate
CID 139771619
2-(5-chloro-2-hydroxybenzoyl)oxybenzoic acid
CID 54253001

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl) 2-hydroxybenzoate?
The IUPAC name of (3,5-dichlorophenyl) 2-hydroxybenzoate (CID 157309463) is (3,5-dichlorophenyl) 2-hydroxybenzoate.
What is the SMILES notation for (3,5-dichlorophenyl) 2-hydroxybenzoate?
The canonical SMILES for (3,5-dichlorophenyl) 2-hydroxybenzoate is O=C(Oc1cc(Cl)cc(Cl)c1)c1ccccc1O.
What is the InChIKey of (3,5-dichlorophenyl) 2-hydroxybenzoate?
The InChIKey is BCWGPYFUZALPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2O3/c14-8-5-9(15)7-10(6-8)18-13(17)11-3-1-2-4-12(11)16/h1-7,16H.
What are the key properties of (3,5-dichlorophenyl) 2-hydroxybenzoate?
(3,5-dichlorophenyl) 2-hydroxybenzoate has a molecular weight of 283.11 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl) 2-hydroxybenzoate is sourced from PubChem (CID 157309463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).