(2,6-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate

C15H12Cl2O3 — CID 925965

IUPAC(2,6-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCc2c(Cl)cccc2Cl)c1O
InChIInChI=1S/C15H12Cl2O3/c1-9-4-2-5-10(14(9)18)15(19)20-8-11-12(16)6-3-7-13(11)17/h2-7,18H,8H2,1H3
InChIKeyWVQKIJSHTPNPGG-UHFFFAOYSA-N
MW311.16 g/mol
LogP4.36
Rot. Bonds3

About (2,6-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate

(2,6-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate (PubChem CID 925965) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate
PubChem CID925965
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name(2,6-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCc2c(Cl)cccc2Cl)c1O
InChIInChI=1S/C15H12Cl2O3/c1-9-4-2-5-10(14(9)18)15(19)20-8-11-12(16)6-3-7-13(11)17/h2-7,18H,8H2,1H3
InChIKeyWVQKIJSHTPNPGG-UHFFFAOYSA-N
XLogP4.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dichlorophenyl)methyl 5-amino-2,4-dimethylbenzoate
CID 102706266
(2,4-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate
CID 2578182
(3-chlorophenyl)methyl 2-hydroxy-3-methylbenzoate
CID 7840599
(4-methylphenyl)methyl 2-hydroxy-3-methylbenzoate
CID 7840399
(2,6-dichlorophenyl)methyl 4-amino-2-methylbenzoate
CID 63450771
2-[(2,6-dichlorophenyl)methoxycarbonyl]benzoic acid
CID 4126924
[2-(2-chloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578232
[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl 2-hydroxy-3-methylbenzoate
CID 56799270
(2-chloro-4-nitrophenyl)methyl 2-hydroxy-3-methylbenzoate
CID 2977425
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578343
(4-methylsulfanylphenyl)methyl 2-hydroxy-3-methylbenzoate
CID 2578471
(4-methoxycarbonylphenyl)methyl 2-hydroxy-3-methylbenzoate
CID 894592

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate?
The IUPAC name of (2,6-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate (CID 925965) is (2,6-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate.
What is the SMILES notation for (2,6-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate?
The canonical SMILES for (2,6-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate is Cc1cccc(C(=O)OCc2c(Cl)cccc2Cl)c1O.
What is the InChIKey of (2,6-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate?
The InChIKey is WVQKIJSHTPNPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c1-9-4-2-5-10(14(9)18)15(19)20-8-11-12(16)6-3-7-13(11)17/h2-7,18H,8H2,1H3.
What are the key properties of (2,6-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate?
(2,6-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate has a molecular weight of 311.16 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate is sourced from PubChem (CID 925965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).