methyl 3-chloro-5-[(2-chlorophenyl)methyl]-2-hydroxybenzoate

C15H12Cl2O3 — CID 145376874

IUPACmethyl 3-chloro-5-[(2-chlorophenyl)methyl]-2-hydroxybenzoate
SMILESCOC(=O)c1cc(Cc2ccccc2Cl)cc(Cl)c1O
InChIInChI=1S/C15H12Cl2O3/c1-20-15(19)11-7-9(8-13(17)14(11)18)6-10-4-2-3-5-12(10)16/h2-5,7-8,18H,6H2,1H3
InChIKeyAVIZWRUYOMYOPV-UHFFFAOYSA-N
MW311.16 g/mol
LogP4.08
Rot. Bonds3

About methyl 3-chloro-5-[(2-chlorophenyl)methyl]-2-hydroxybenzoate

methyl 3-chloro-5-[(2-chlorophenyl)methyl]-2-hydroxybenzoate (PubChem CID 145376874) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is methyl 3-chloro-5-[(2-chlorophenyl)methyl]-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 3-chloro-5-[(2-chlorophenyl)methyl]-2-hydroxybenzoate
PubChem CID145376874
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Namemethyl 3-chloro-5-[(2-chlorophenyl)methyl]-2-hydroxybenzoate
SMILESCOC(=O)c1cc(Cc2ccccc2Cl)cc(Cl)c1O
InChIInChI=1S/C15H12Cl2O3/c1-20-15(19)11-7-9(8-13(17)14(11)18)6-10-4-2-3-5-12(10)16/h2-5,7-8,18H,6H2,1H3
InChIKeyAVIZWRUYOMYOPV-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-bis[(2-chlorophenyl)methyl]-2-hydroxybenzoic acid
CID 139758970
methyl 3-benzyl-2-hydroxy-5-methylbenzoate
CID 11858624
methyl 2-[(3-chloro-5-fluorophenyl)methyl]benzoate
CID 91178796
methyl 2-[(E)-2-[2-[(3,4-dichlorophenyl)methyl]phenyl]ethenyl]benzoate
CID 22400852
methyl 2-[(2-chlorophenyl)methoxy]-4-methoxybenzoate
CID 25235977
methyl 2-[(2-chlorophenyl)methylamino]benzoate
CID 43087858
methyl 2-[(2-chlorophenyl)methylsulfinylmethyl]benzoate
CID 103289225
methyl 5-[(2-chlorophenyl)methyl]-2,2-dimethyl-1,3-dioxole-4-carboxylate
CID 141385264
methyl 2-(2-chlorophenyl)benzoate
CID 1393589
methyl 3-[3-(2-chlorophenyl)propanoylamino]-2-hydroxybenzoate
CID 56543246
methyl 2-chloro-5-[(2-hydroxyphenyl)methylamino]benzoate
CID 43672704
methyl 2-hydroxy-3-[(2-hydroxy-3-methoxycarbonyl-5-methylphenyl)methyl]-5-methylbenzoate
CID 1211689

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-5-[(2-chlorophenyl)methyl]-2-hydroxybenzoate?
The IUPAC name of methyl 3-chloro-5-[(2-chlorophenyl)methyl]-2-hydroxybenzoate (CID 145376874) is methyl 3-chloro-5-[(2-chlorophenyl)methyl]-2-hydroxybenzoate.
What is the SMILES notation for methyl 3-chloro-5-[(2-chlorophenyl)methyl]-2-hydroxybenzoate?
The canonical SMILES for methyl 3-chloro-5-[(2-chlorophenyl)methyl]-2-hydroxybenzoate is COC(=O)c1cc(Cc2ccccc2Cl)cc(Cl)c1O.
What is the InChIKey of methyl 3-chloro-5-[(2-chlorophenyl)methyl]-2-hydroxybenzoate?
The InChIKey is AVIZWRUYOMYOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c1-20-15(19)11-7-9(8-13(17)14(11)18)6-10-4-2-3-5-12(10)16/h2-5,7-8,18H,6H2,1H3.
What are the key properties of methyl 3-chloro-5-[(2-chlorophenyl)methyl]-2-hydroxybenzoate?
methyl 3-chloro-5-[(2-chlorophenyl)methyl]-2-hydroxybenzoate has a molecular weight of 311.16 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-5-[(2-chlorophenyl)methyl]-2-hydroxybenzoate is sourced from PubChem (CID 145376874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).