methyl 3-(3,5-dichloro-4-hydroxyphenyl)propanoate

C10H10Cl2O3 — CID 57435273

IUPACmethyl 3-(3,5-dichloro-4-hydroxyphenyl)propanoate
SMILESCOC(=O)CCc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C10H10Cl2O3/c1-15-9(13)3-2-6-4-7(11)10(14)8(12)5-6/h4-5,14H,2-3H2,1H3
InChIKeyMCNLBWBFJJNCMF-UHFFFAOYSA-N
MW249.09 g/mol
LogP2.80
Rot. Bonds3

About methyl 3-(3,5-dichloro-4-hydroxyphenyl)propanoate

methyl 3-(3,5-dichloro-4-hydroxyphenyl)propanoate (PubChem CID 57435273) has the molecular formula C10H10Cl2O3 and a molecular weight of 249.09 g/mol. Its IUPAC name is methyl 3-(3,5-dichloro-4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3,5-dichloro-4-hydroxyphenyl)propanoate
PubChem CID57435273
Molecular FormulaC10H10Cl2O3
Molecular Weight249.09 g/mol
Exact Mass248.00
IUPAC Namemethyl 3-(3,5-dichloro-4-hydroxyphenyl)propanoate
SMILESCOC(=O)CCc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C10H10Cl2O3/c1-15-9(13)3-2-6-4-7(11)10(14)8(12)5-6/h4-5,14H,2-3H2,1H3
InChIKeyMCNLBWBFJJNCMF-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,5-dichloro-4-hydroxyphenyl)propanoate?
The IUPAC name of methyl 3-(3,5-dichloro-4-hydroxyphenyl)propanoate (CID 57435273) is methyl 3-(3,5-dichloro-4-hydroxyphenyl)propanoate.
What is the SMILES notation for methyl 3-(3,5-dichloro-4-hydroxyphenyl)propanoate?
The canonical SMILES for methyl 3-(3,5-dichloro-4-hydroxyphenyl)propanoate is COC(=O)CCc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of methyl 3-(3,5-dichloro-4-hydroxyphenyl)propanoate?
The InChIKey is MCNLBWBFJJNCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O3/c1-15-9(13)3-2-6-4-7(11)10(14)8(12)5-6/h4-5,14H,2-3H2,1H3.
What are the key properties of methyl 3-(3,5-dichloro-4-hydroxyphenyl)propanoate?
methyl 3-(3,5-dichloro-4-hydroxyphenyl)propanoate has a molecular weight of 249.09 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,5-dichloro-4-hydroxyphenyl)propanoate is sourced from PubChem (CID 57435273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).