methyl 2-(4,5-dichloro-2-methoxyphenyl)acetate

C10H10Cl2O3 — CID 82553977

IUPACmethyl 2-(4,5-dichloro-2-methoxyphenyl)acetate
SMILESCOC(=O)Cc1cc(Cl)c(Cl)cc1OC
InChIInChI=1S/C10H10Cl2O3/c1-14-9-5-8(12)7(11)3-6(9)4-10(13)15-2/h3,5H,4H2,1-2H3
InChIKeyVRPJOEZQJLGJDB-UHFFFAOYSA-N
MW249.09 g/mol
LogP2.72
Rot. Bonds3

About methyl 2-(4,5-dichloro-2-methoxyphenyl)acetate

methyl 2-(4,5-dichloro-2-methoxyphenyl)acetate (PubChem CID 82553977) has the molecular formula C10H10Cl2O3 and a molecular weight of 249.09 g/mol. Its IUPAC name is methyl 2-(4,5-dichloro-2-methoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(4,5-dichloro-2-methoxyphenyl)acetate
PubChem CID82553977
Molecular FormulaC10H10Cl2O3
Molecular Weight249.09 g/mol
Exact Mass248.00
IUPAC Namemethyl 2-(4,5-dichloro-2-methoxyphenyl)acetate
SMILESCOC(=O)Cc1cc(Cl)c(Cl)cc1OC
InChIInChI=1S/C10H10Cl2O3/c1-14-9-5-8(12)7(11)3-6(9)4-10(13)15-2/h3,5H,4H2,1-2H3
InChIKeyVRPJOEZQJLGJDB-UHFFFAOYSA-N
XLogP2.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.09
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4,5-dichloro-2-methoxyphenyl)acetate
CID 82553976
methyl 2-[5-(chloromethyl)-2-methoxy-4-methylphenyl]acetate
CID 171023050
methyl 2-(3-chloro-5-fluoro-2-methylphenyl)acetate
CID 130837002
methyl 2-[4-(4-chlorophenyl)-2-methoxyphenyl]acetate
CID 12732375
methyl 4-(4,5-dichloro-2-methoxyphenyl)-4-oxobutanoate
CID 82553971
methyl 2-[2-chloro-4,5-di(propan-2-yloxy)phenyl]acetate
CID 82551491
2-(2,5-dichloro-4-methoxyphenyl)acetic acid
CID 5202225
methyl 4-(5-chloro-2-methoxy-4-methylphenyl)butanoate
CID 98784589
methyl 2-(5-chloro-4-methyl-2-propoxyphenyl)acetate
CID 82553246
methyl 2-[5-(bromomethyl)-2-chloro-3-methoxyphenyl]acetate
CID 171013890
methyl 3-(5-chloro-4-methoxy-2-methylphenyl)propanoate
CID 116927426
methyl 2-(2-chloro-6-methoxyphenyl)acetate
CID 170997137

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,5-dichloro-2-methoxyphenyl)acetate?
The IUPAC name of methyl 2-(4,5-dichloro-2-methoxyphenyl)acetate (CID 82553977) is methyl 2-(4,5-dichloro-2-methoxyphenyl)acetate.
What is the SMILES notation for methyl 2-(4,5-dichloro-2-methoxyphenyl)acetate?
The canonical SMILES for methyl 2-(4,5-dichloro-2-methoxyphenyl)acetate is COC(=O)Cc1cc(Cl)c(Cl)cc1OC.
What is the InChIKey of methyl 2-(4,5-dichloro-2-methoxyphenyl)acetate?
The InChIKey is VRPJOEZQJLGJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O3/c1-14-9-5-8(12)7(11)3-6(9)4-10(13)15-2/h3,5H,4H2,1-2H3.
What are the key properties of methyl 2-(4,5-dichloro-2-methoxyphenyl)acetate?
methyl 2-(4,5-dichloro-2-methoxyphenyl)acetate has a molecular weight of 249.09 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,5-dichloro-2-methoxyphenyl)acetate is sourced from PubChem (CID 82553977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).