methyl 2-(3,5-dichloro-4-methylphenyl)acetate

C10H10Cl2O2 — CID 121228410

IUPACmethyl 2-(3,5-dichloro-4-methylphenyl)acetate
SMILESCOC(=O)Cc1cc(Cl)c(C)c(Cl)c1
InChIInChI=1S/C10H10Cl2O2/c1-6-8(11)3-7(4-9(6)12)5-10(13)14-2/h3-4H,5H2,1-2H3
InChIKeyMWVQMOAEJIDMPU-UHFFFAOYSA-N
MW233.09 g/mol
LogP3.02
Rot. Bonds2

About methyl 2-(3,5-dichloro-4-methylphenyl)acetate

methyl 2-(3,5-dichloro-4-methylphenyl)acetate (PubChem CID 121228410) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is methyl 2-(3,5-dichloro-4-methylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3,5-dichloro-4-methylphenyl)acetate
PubChem CID121228410
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Namemethyl 2-(3,5-dichloro-4-methylphenyl)acetate
SMILESCOC(=O)Cc1cc(Cl)c(C)c(Cl)c1
InChIInChI=1S/C10H10Cl2O2/c1-6-8(11)3-7(4-9(6)12)5-10(13)14-2/h3-4H,5H2,1-2H3
InChIKeyMWVQMOAEJIDMPU-UHFFFAOYSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[4-(bromomethyl)-2,6-dichlorophenyl]acetate
CID 59419500
methyl 2-(3-chloro-5-fluoro-2-methylphenyl)acetate
CID 130837002
[2-chloro-4-(2-methoxy-2-oxoethyl)phenyl]boronic acid
CID 59627663
methyl 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)acetate
CID 82552401
methyl 2-[2-chloro-4-(chloromethyl)-6-methylphenyl]acetate
CID 171015797
methyl 2-(3-chloro-4-formylphenyl)acetate
CID 59520437
methyl 2-[3,5-bis(bromomethyl)phenyl]acetate
CID 89250496
methyl 2-(4-bromo-3-chloro-5-nitrophenyl)acetate
CID 171011086
methyl 2-(3-chloro-4-isocyanophenyl)acetate
CID 59377384
ethyl 2-[3-(bromomethyl)-5-chloro-4-methylphenyl]acetate
CID 171013266
methyl 2-[4-(aminomethyl)-3-chloro-5-cyanophenyl]acetate
CID 134658174
methyl 2-[3-chloro-4-cyano-5-(trifluoromethyl)phenyl]acetate
CID 171030003

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,5-dichloro-4-methylphenyl)acetate?
The IUPAC name of methyl 2-(3,5-dichloro-4-methylphenyl)acetate (CID 121228410) is methyl 2-(3,5-dichloro-4-methylphenyl)acetate.
What is the SMILES notation for methyl 2-(3,5-dichloro-4-methylphenyl)acetate?
The canonical SMILES for methyl 2-(3,5-dichloro-4-methylphenyl)acetate is COC(=O)Cc1cc(Cl)c(C)c(Cl)c1.
What is the InChIKey of methyl 2-(3,5-dichloro-4-methylphenyl)acetate?
The InChIKey is MWVQMOAEJIDMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c1-6-8(11)3-7(4-9(6)12)5-10(13)14-2/h3-4H,5H2,1-2H3.
What are the key properties of methyl 2-(3,5-dichloro-4-methylphenyl)acetate?
methyl 2-(3,5-dichloro-4-methylphenyl)acetate has a molecular weight of 233.09 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,5-dichloro-4-methylphenyl)acetate is sourced from PubChem (CID 121228410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).