methyl 3-(2,4-dichloro-3,5-dihydroxyphenyl)propanoate

C10H10Cl2O4 — CID 156581424

IUPACmethyl 3-(2,4-dichloro-3,5-dihydroxyphenyl)propanoate
SMILESCOC(=O)CCc1cc(O)c(Cl)c(O)c1Cl
InChIInChI=1S/C10H10Cl2O4/c1-16-7(14)3-2-5-4-6(13)9(12)10(15)8(5)11/h4,13,15H,2-3H2,1H3
InChIKeyLQFWUBMXEFXWHT-UHFFFAOYSA-N
MW265.09 g/mol
LogP2.51
Rot. Bonds3

About methyl 3-(2,4-dichloro-3,5-dihydroxyphenyl)propanoate

methyl 3-(2,4-dichloro-3,5-dihydroxyphenyl)propanoate (PubChem CID 156581424) has the molecular formula C10H10Cl2O4 and a molecular weight of 265.09 g/mol. Its IUPAC name is methyl 3-(2,4-dichloro-3,5-dihydroxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2,4-dichloro-3,5-dihydroxyphenyl)propanoate
PubChem CID156581424
Molecular FormulaC10H10Cl2O4
Molecular Weight265.09 g/mol
Exact Mass264.00
IUPAC Namemethyl 3-(2,4-dichloro-3,5-dihydroxyphenyl)propanoate
SMILESCOC(=O)CCc1cc(O)c(Cl)c(O)c1Cl
InChIInChI=1S/C10H10Cl2O4/c1-16-7(14)3-2-5-4-6(13)9(12)10(15)8(5)11/h4,13,15H,2-3H2,1H3
InChIKeyLQFWUBMXEFXWHT-UHFFFAOYSA-N
XLogP2.51
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.09
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate
CID 12862928
methyl 3-(2-ethyl-4-hydroxyphenyl)propanoate
CID 69115976
methyl 2,3-dichloro-6-(3-methoxy-3-oxopropyl)benzoate
CID 70566901
methyl 2-(2,5-dichloro-3-hydroxyphenyl)acetate
CID 130779138
methyl 3-[2-(chloromethyl)phenyl]propanoate
CID 70171313
methyl 3-(4-bromo-2-hydroxyphenyl)propanoate
CID 154733783
methyl 3-(4-chloro-2-fluorophenyl)propanoate
CID 91755213
methyl 3-(5-chloro-4-methoxy-2-methylphenyl)propanoate
CID 116927426
methyl 2-chloro-3-(3-methoxy-3-oxopropyl)benzoate
CID 134648997
methyl 2-(4-bromo-2-chloro-3-hydroxyphenyl)acetate
CID 171027468
methyl 3-(3-bromo-2-hydroxyphenyl)propanoate
CID 150268670
methyl 3-[4-(difluoromethoxy)-2-hydroxyphenyl]propanoate
CID 134634678

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,4-dichloro-3,5-dihydroxyphenyl)propanoate?
The IUPAC name of methyl 3-(2,4-dichloro-3,5-dihydroxyphenyl)propanoate (CID 156581424) is methyl 3-(2,4-dichloro-3,5-dihydroxyphenyl)propanoate.
What is the SMILES notation for methyl 3-(2,4-dichloro-3,5-dihydroxyphenyl)propanoate?
The canonical SMILES for methyl 3-(2,4-dichloro-3,5-dihydroxyphenyl)propanoate is COC(=O)CCc1cc(O)c(Cl)c(O)c1Cl.
What is the InChIKey of methyl 3-(2,4-dichloro-3,5-dihydroxyphenyl)propanoate?
The InChIKey is LQFWUBMXEFXWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O4/c1-16-7(14)3-2-5-4-6(13)9(12)10(15)8(5)11/h4,13,15H,2-3H2,1H3.
What are the key properties of methyl 3-(2,4-dichloro-3,5-dihydroxyphenyl)propanoate?
methyl 3-(2,4-dichloro-3,5-dihydroxyphenyl)propanoate has a molecular weight of 265.09 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,4-dichloro-3,5-dihydroxyphenyl)propanoate is sourced from PubChem (CID 156581424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).