methyl 2-(2,5-dichloro-3-hydroxyphenyl)acetate

C9H8Cl2O3 — CID 130779138

IUPACmethyl 2-(2,5-dichloro-3-hydroxyphenyl)acetate
SMILESCOC(=O)Cc1cc(Cl)cc(O)c1Cl
InChIInChI=1S/C9H8Cl2O3/c1-14-8(13)3-5-2-6(10)4-7(12)9(5)11/h2,4,12H,3H2,1H3
InChIKeyDQPDJCYIKZBREI-UHFFFAOYSA-N
MW235.07 g/mol
LogP2.41
Rot. Bonds2

About methyl 2-(2,5-dichloro-3-hydroxyphenyl)acetate

methyl 2-(2,5-dichloro-3-hydroxyphenyl)acetate (PubChem CID 130779138) has the molecular formula C9H8Cl2O3 and a molecular weight of 235.07 g/mol. Its IUPAC name is methyl 2-(2,5-dichloro-3-hydroxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2,5-dichloro-3-hydroxyphenyl)acetate
PubChem CID130779138
Molecular FormulaC9H8Cl2O3
Molecular Weight235.07 g/mol
Exact Mass233.99
IUPAC Namemethyl 2-(2,5-dichloro-3-hydroxyphenyl)acetate
SMILESCOC(=O)Cc1cc(Cl)cc(O)c1Cl
InChIInChI=1S/C9H8Cl2O3/c1-14-8(13)3-5-2-6(10)4-7(12)9(5)11/h2,4,12H,3H2,1H3
InChIKeyDQPDJCYIKZBREI-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-(2,3-dibromo-5-chlorophenyl)acetate
CID 171033944
methyl 2-(3,5-dichloro-2-fluorophenyl)acetate
CID 121228358
methyl 2-(3,5-dichloro-2-nitrophenyl)acetate
CID 134890332
methyl 2-[3-(bromomethyl)-2-chloro-5-methylphenyl]acetate
CID 171013835
methyl 3-(2,4-dichloro-3,5-dihydroxyphenyl)propanoate
CID 156581424
methyl 2-(6-chloro-2-methylquinolin-8-yl)acetate
CID 82575079
methyl 2-[5-(bromomethyl)-2-chloro-3-methoxyphenyl]acetate
CID 171013890
methyl 2-(2,3-dichloro-6-hydroxyphenyl)acetate
CID 130864862
methyl 2-(2-chloro-5-cyano-3-methylphenyl)acetate
CID 171029913
methyl 2-(2-amino-4,6-dichlorophenyl)acetate
CID 131482461
methyl 2-(4-bromo-2-chloro-3-hydroxyphenyl)acetate
CID 171027468
methyl 2-(4,5-dichloro-2-methoxyphenyl)acetate
CID 82553977

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,5-dichloro-3-hydroxyphenyl)acetate?
The IUPAC name of methyl 2-(2,5-dichloro-3-hydroxyphenyl)acetate (CID 130779138) is methyl 2-(2,5-dichloro-3-hydroxyphenyl)acetate.
What is the SMILES notation for methyl 2-(2,5-dichloro-3-hydroxyphenyl)acetate?
The canonical SMILES for methyl 2-(2,5-dichloro-3-hydroxyphenyl)acetate is COC(=O)Cc1cc(Cl)cc(O)c1Cl.
What is the InChIKey of methyl 2-(2,5-dichloro-3-hydroxyphenyl)acetate?
The InChIKey is DQPDJCYIKZBREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O3/c1-14-8(13)3-5-2-6(10)4-7(12)9(5)11/h2,4,12H,3H2,1H3.
What are the key properties of methyl 2-(2,5-dichloro-3-hydroxyphenyl)acetate?
methyl 2-(2,5-dichloro-3-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-(2,5-dichloro-3-hydroxyphenyl)acetate is sourced from PubChem (CID 130779138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).