methyl 2-(2,3-dichloro-6-hydroxyphenyl)acetate

C9H8Cl2O3 — CID 130864862

IUPACmethyl 2-(2,3-dichloro-6-hydroxyphenyl)acetate
SMILESCOC(=O)Cc1c(O)ccc(Cl)c1Cl
InChIInChI=1S/C9H8Cl2O3/c1-14-8(13)4-5-7(12)3-2-6(10)9(5)11/h2-3,12H,4H2,1H3
InChIKeyDAOJAJAVQVQORW-UHFFFAOYSA-N
MW235.07 g/mol
LogP2.41
Rot. Bonds2

About methyl 2-(2,3-dichloro-6-hydroxyphenyl)acetate

methyl 2-(2,3-dichloro-6-hydroxyphenyl)acetate (PubChem CID 130864862) has the molecular formula C9H8Cl2O3 and a molecular weight of 235.07 g/mol. Its IUPAC name is methyl 2-(2,3-dichloro-6-hydroxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2,3-dichloro-6-hydroxyphenyl)acetate
PubChem CID130864862
Molecular FormulaC9H8Cl2O3
Molecular Weight235.07 g/mol
Exact Mass233.99
IUPAC Namemethyl 2-(2,3-dichloro-6-hydroxyphenyl)acetate
SMILESCOC(=O)Cc1c(O)ccc(Cl)c1Cl
InChIInChI=1S/C9H8Cl2O3/c1-14-8(13)4-5-7(12)3-2-6(10)9(5)11/h2-3,12H,4H2,1H3
InChIKeyDAOJAJAVQVQORW-UHFFFAOYSA-N
XLogP2.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3-bromo-2-fluoro-6-hydroxyphenyl)acetate
CID 131117804
methyl 2-(2-bromo-3-chloro-6-methylphenyl)acetate
CID 171011025
methyl 2-(5-chloro-8-hydroxyquinolin-2-yl)acetate
CID 171776280
methyl 2-(6-chloro-2-formyl-3-methylphenyl)acetate
CID 171022124
methyl 2-(2-chloro-6-methoxyphenyl)acetate
CID 170997137
1-(2-chloro-6-hydroxy-3-methoxyphenyl)propan-2-one
CID 84783610
methyl 2-(4-bromo-2-chloro-3-hydroxyphenyl)acetate
CID 171027468
methyl 2-[6-chloro-3-fluoro-2-(trifluoromethyl)phenyl]acetate
CID 171030086
[4-chloro-3-(2-methoxy-2-oxoethyl)phenyl]boronic acid
CID 167741195
methyl 2-(2,5-dichloro-3-hydroxyphenyl)acetate
CID 130779138
methyl 2-(2-chloro-5-methylphenyl)acetate
CID 86187737
methyl 2-(3-bromo-6-chloro-2-cyanophenyl)acetate
CID 131434355

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dichloro-6-hydroxyphenyl)acetate?
The IUPAC name of methyl 2-(2,3-dichloro-6-hydroxyphenyl)acetate (CID 130864862) is methyl 2-(2,3-dichloro-6-hydroxyphenyl)acetate.
What is the SMILES notation for methyl 2-(2,3-dichloro-6-hydroxyphenyl)acetate?
The canonical SMILES for methyl 2-(2,3-dichloro-6-hydroxyphenyl)acetate is COC(=O)Cc1c(O)ccc(Cl)c1Cl.
What is the InChIKey of methyl 2-(2,3-dichloro-6-hydroxyphenyl)acetate?
The InChIKey is DAOJAJAVQVQORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O3/c1-14-8(13)4-5-7(12)3-2-6(10)9(5)11/h2-3,12H,4H2,1H3.
What are the key properties of methyl 2-(2,3-dichloro-6-hydroxyphenyl)acetate?
methyl 2-(2,3-dichloro-6-hydroxyphenyl)acetate has a molecular weight of 235.07 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-dichloro-6-hydroxyphenyl)acetate is sourced from PubChem (CID 130864862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).