methyl 2-(3,4-dichlorophenyl)-3-hydroxypropanoate

C10H10Cl2O3 — CID 119030984

IUPACmethyl 2-(3,4-dichlorophenyl)-3-hydroxypropanoate
SMILESCOC(=O)C(CO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H10Cl2O3/c1-15-10(14)7(5-13)6-2-3-8(11)9(12)4-6/h2-4,7,13H,5H2,1H3
InChIKeyVWPJQLPZFIYXCG-UHFFFAOYSA-N
MW249.09 g/mol
LogP2.24
Rot. Bonds3

About methyl 2-(3,4-dichlorophenyl)-3-hydroxypropanoate

methyl 2-(3,4-dichlorophenyl)-3-hydroxypropanoate (PubChem CID 119030984) has the molecular formula C10H10Cl2O3 and a molecular weight of 249.09 g/mol. Its IUPAC name is methyl 2-(3,4-dichlorophenyl)-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-(3,4-dichlorophenyl)-3-hydroxypropanoate
PubChem CID119030984
Molecular FormulaC10H10Cl2O3
Molecular Weight249.09 g/mol
Exact Mass248.00
IUPAC Namemethyl 2-(3,4-dichlorophenyl)-3-hydroxypropanoate
SMILESCOC(=O)C(CO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H10Cl2O3/c1-15-10(14)7(5-13)6-2-3-8(11)9(12)4-6/h2-4,7,13H,5H2,1H3
InChIKeyVWPJQLPZFIYXCG-UHFFFAOYSA-N
XLogP2.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.09
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,4-dichlorophenyl)-3-hydroxypropanoate?
The IUPAC name of methyl 2-(3,4-dichlorophenyl)-3-hydroxypropanoate (CID 119030984) is methyl 2-(3,4-dichlorophenyl)-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-(3,4-dichlorophenyl)-3-hydroxypropanoate?
The canonical SMILES for methyl 2-(3,4-dichlorophenyl)-3-hydroxypropanoate is COC(=O)C(CO)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of methyl 2-(3,4-dichlorophenyl)-3-hydroxypropanoate?
The InChIKey is VWPJQLPZFIYXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O3/c1-15-10(14)7(5-13)6-2-3-8(11)9(12)4-6/h2-4,7,13H,5H2,1H3.
What are the key properties of methyl 2-(3,4-dichlorophenyl)-3-hydroxypropanoate?
methyl 2-(3,4-dichlorophenyl)-3-hydroxypropanoate has a molecular weight of 249.09 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,4-dichlorophenyl)-3-hydroxypropanoate is sourced from PubChem (CID 119030984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).