methyl 5-(2,4-dichlorophenoxy)-2-methylbenzoate

C15H12Cl2O3 — CID 20648456

IUPACmethyl 5-(2,4-dichlorophenoxy)-2-methylbenzoate
SMILESCOC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1C
InChIInChI=1S/C15H12Cl2O3/c1-9-3-5-11(8-12(9)15(18)19-2)20-14-6-4-10(16)7-13(14)17/h3-8H,1-2H3
InChIKeyOSQXJXZDNVMFJC-UHFFFAOYSA-N
MW311.16 g/mol
LogP4.88
Rot. Bonds3

About methyl 5-(2,4-dichlorophenoxy)-2-methylbenzoate

methyl 5-(2,4-dichlorophenoxy)-2-methylbenzoate (PubChem CID 20648456) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is methyl 5-(2,4-dichlorophenoxy)-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 5-(2,4-dichlorophenoxy)-2-methylbenzoate
PubChem CID20648456
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Namemethyl 5-(2,4-dichlorophenoxy)-2-methylbenzoate
SMILESCOC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1C
InChIInChI=1S/C15H12Cl2O3/c1-9-3-5-11(8-12(9)15(18)19-2)20-14-6-4-10(16)7-13(14)17/h3-8H,1-2H3
InChIKeyOSQXJXZDNVMFJC-UHFFFAOYSA-N
XLogP4.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(2,4-dichlorophenoxy)benzoate
CID 28911715
3,5-dibromo-4-hydroxybenzonitrile;methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate
CID 67406853
1-chloro-4-(4-chlorophenoxy)benzene;1-[5-chloro-2-(4-chlorophenoxy)phenyl]ethanone;1-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]ethanone;2,4-dichloro-1-(4-chlorophenoxy)benzene;methane
CID 160666501
2-amino-4-(2,4-dichlorophenoxy)benzoic acid
CID 113419891
2-cyano-5-(2,4-dichlorophenoxy)benzoic acid
CID 57003483
methyl 2-cyano-5-(2,4-dichlorophenoxy)-N-(methylcarbamoyl)benzenecarboximidate
CID 54298244
[4-(2,4-dichlorophenoxy)anilino] acetate
CID 154699813
[3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate
CID 70137571
2,4-dichloro-1-(3,5-dimethoxyphenoxy)benzene
CID 102485149
methyl 2-(2,4-dichlorophenoxy)-6-ethoxypyridine-3-carboxylate
CID 69318370
[4-(2,4-dichlorophenoxy)phenyl] propanoate
CID 67553768
dimethyl 1-[4-(2,4-dichlorophenoxy)phenyl]azepine-2,3-dicarboxylate
CID 168648290

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,4-dichlorophenoxy)-2-methylbenzoate?
The IUPAC name of methyl 5-(2,4-dichlorophenoxy)-2-methylbenzoate (CID 20648456) is methyl 5-(2,4-dichlorophenoxy)-2-methylbenzoate.
What is the SMILES notation for methyl 5-(2,4-dichlorophenoxy)-2-methylbenzoate?
The canonical SMILES for methyl 5-(2,4-dichlorophenoxy)-2-methylbenzoate is COC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1C.
What is the InChIKey of methyl 5-(2,4-dichlorophenoxy)-2-methylbenzoate?
The InChIKey is OSQXJXZDNVMFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c1-9-3-5-11(8-12(9)15(18)19-2)20-14-6-4-10(16)7-13(14)17/h3-8H,1-2H3.
What are the key properties of methyl 5-(2,4-dichlorophenoxy)-2-methylbenzoate?
methyl 5-(2,4-dichlorophenoxy)-2-methylbenzoate has a molecular weight of 311.16 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,4-dichlorophenoxy)-2-methylbenzoate is sourced from PubChem (CID 20648456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).