benzyl 2,6-dichloro-3-hydroxybenzoate

C14H10Cl2O3 — CID 23353668

IUPACbenzyl 2,6-dichloro-3-hydroxybenzoate
SMILESO=C(OCc1ccccc1)c1c(Cl)ccc(O)c1Cl
InChIInChI=1S/C14H10Cl2O3/c15-10-6-7-11(17)13(16)12(10)14(18)19-8-9-4-2-1-3-5-9/h1-7,17H,8H2
InChIKeyPSBVWYPZNCUYKF-UHFFFAOYSA-N
MW297.14 g/mol
LogP4.06
Rot. Bonds3

About benzyl 2,6-dichloro-3-hydroxybenzoate

benzyl 2,6-dichloro-3-hydroxybenzoate (PubChem CID 23353668) has the molecular formula C14H10Cl2O3 and a molecular weight of 297.14 g/mol. Its IUPAC name is benzyl 2,6-dichloro-3-hydroxybenzoate.

Molecular Properties

Compound Namebenzyl 2,6-dichloro-3-hydroxybenzoate
PubChem CID23353668
Molecular FormulaC14H10Cl2O3
Molecular Weight297.14 g/mol
Exact Mass296.00
IUPAC Namebenzyl 2,6-dichloro-3-hydroxybenzoate
SMILESO=C(OCc1ccccc1)c1c(Cl)ccc(O)c1Cl
InChIInChI=1S/C14H10Cl2O3/c15-10-6-7-11(17)13(16)12(10)14(18)19-8-9-4-2-1-3-5-9/h1-7,17H,8H2
InChIKeyPSBVWYPZNCUYKF-UHFFFAOYSA-N
XLogP4.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 3-chloro-4-hydroxybenzoate
CID 54290465
benzyl 2-hydroxy-6-sulfanylbenzoate
CID 57290903
benzyl 3-amino-6-chloro-2-propylbenzoate
CID 90908989
benzyl benzoate
CID 2345
(3,4-dichlorophenyl)methyl 2,6-dichlorobenzoate
CID 2445979
benzyl 3,4,5-trihydroxybenzoate
CID 16656514
[4-(phenylcarbamoyl)phenyl]methyl 2,6-dichlorobenzoate
CID 7723510
benzyl carbonochloridate
CID 10387
tribenzyl 5-aminobenzene-1,2,3-tricarboxylate
CID 166736546
benzyl 2-hydroxy-5-iodobenzoate
CID 10760569
(4-ethylphenyl)methyl 2-amino-6-chlorobenzoate
CID 63663287
(4-phenylphenyl)methyl 2-chlorobenzoate
CID 7866502

Frequently Asked Questions

What is the IUPAC name of benzyl 2,6-dichloro-3-hydroxybenzoate?
The IUPAC name of benzyl 2,6-dichloro-3-hydroxybenzoate (CID 23353668) is benzyl 2,6-dichloro-3-hydroxybenzoate.
What is the SMILES notation for benzyl 2,6-dichloro-3-hydroxybenzoate?
The canonical SMILES for benzyl 2,6-dichloro-3-hydroxybenzoate is O=C(OCc1ccccc1)c1c(Cl)ccc(O)c1Cl.
What is the InChIKey of benzyl 2,6-dichloro-3-hydroxybenzoate?
The InChIKey is PSBVWYPZNCUYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O3/c15-10-6-7-11(17)13(16)12(10)14(18)19-8-9-4-2-1-3-5-9/h1-7,17H,8H2.
What are the key properties of benzyl 2,6-dichloro-3-hydroxybenzoate?
benzyl 2,6-dichloro-3-hydroxybenzoate has a molecular weight of 297.14 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2,6-dichloro-3-hydroxybenzoate is sourced from PubChem (CID 23353668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).