(2,4-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate

C15H12Cl2O3 — CID 2578182

IUPAC(2,4-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCc2ccc(Cl)cc2Cl)c1O
InChIInChI=1S/C15H12Cl2O3/c1-9-3-2-4-12(14(9)18)15(19)20-8-10-5-6-11(16)7-13(10)17/h2-7,18H,8H2,1H3
InChIKeyIEQKJUQGSNGKRI-UHFFFAOYSA-N
MW311.16 g/mol
LogP4.36
Rot. Bonds3

About (2,4-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate

(2,4-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate (PubChem CID 2578182) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate
PubChem CID2578182
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name(2,4-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCc2ccc(Cl)cc2Cl)c1O
InChIInChI=1S/C15H12Cl2O3/c1-9-3-2-4-12(14(9)18)15(19)20-8-10-5-6-11(16)7-13(10)17/h2-7,18H,8H2,1H3
InChIKeyIEQKJUQGSNGKRI-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-chloro-4-nitrophenyl)methyl 2-hydroxy-3-methylbenzoate
CID 2977425
(3-chlorophenyl)methyl 2-hydroxy-3-methylbenzoate
CID 7840599
(2,6-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate
CID 925965
2-O-[(2,4-dichlorophenyl)methyl] 1-O-nonyl benzene-1,2-dicarboxylate
CID 91720374
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-hydroxy-3-methylbenzoate
CID 7416188
(4-methylphenyl)methyl 2-hydroxy-3-methylbenzoate
CID 7840399
(2,4-dichlorophenyl)methyl 2-(2-cyanophenyl)benzoate
CID 7520296
(2,4-dichlorophenyl)methyl N-(2-chlorobenzoyl)carbamate
CID 2798263
(2,4-dichlorophenyl)methyl (2S)-2-(2-ethyl-6-methylanilino)propanoate
CID 54312998
methyl 5-chloro-2-hydroxy-3-methylbenzoate;methyl 2-hydroxy-3-methylbenzoate
CID 160734201
(2,4-dichlorophenyl)methyl 4-iodobenzoate
CID 2387646
(2,4-dichlorophenyl)methyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate
CID 4544563

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate?
The IUPAC name of (2,4-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate (CID 2578182) is (2,4-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate.
What is the SMILES notation for (2,4-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate?
The canonical SMILES for (2,4-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate is Cc1cccc(C(=O)OCc2ccc(Cl)cc2Cl)c1O.
What is the InChIKey of (2,4-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate?
The InChIKey is IEQKJUQGSNGKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c1-9-3-2-4-12(14(9)18)15(19)20-8-10-5-6-11(16)7-13(10)17/h2-7,18H,8H2,1H3.
What are the key properties of (2,4-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate?
(2,4-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 (2,4-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate is sourced from PubChem (CID 2578182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).