methyl 2-(3-chloro-2,4-dihydroxyphenyl)propanoate

C10H11ClO4 — CID 68634911

IUPACmethyl 2-(3-chloro-2,4-dihydroxyphenyl)propanoate
SMILESCOC(=O)C(C)c1ccc(O)c(Cl)c1O
InChIInChI=1S/C10H11ClO4/c1-5(10(14)15-2)6-3-4-7(12)8(11)9(6)13/h3-5,12-13H,1-2H3
InChIKeyQYVXXSVTAYEHDF-UHFFFAOYSA-N
MW230.65 g/mol
LogP2.03
Rot. Bonds2

About methyl 2-(3-chloro-2,4-dihydroxyphenyl)propanoate

methyl 2-(3-chloro-2,4-dihydroxyphenyl)propanoate (PubChem CID 68634911) has the molecular formula C10H11ClO4 and a molecular weight of 230.65 g/mol. Its IUPAC name is methyl 2-(3-chloro-2,4-dihydroxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-chloro-2,4-dihydroxyphenyl)propanoate
PubChem CID68634911
Molecular FormulaC10H11ClO4
Molecular Weight230.65 g/mol
Exact Mass230.03
IUPAC Namemethyl 2-(3-chloro-2,4-dihydroxyphenyl)propanoate
SMILESCOC(=O)C(C)c1ccc(O)c(Cl)c1O
InChIInChI=1S/C10H11ClO4/c1-5(10(14)15-2)6-3-4-7(12)8(11)9(6)13/h3-5,12-13H,1-2H3
InChIKeyQYVXXSVTAYEHDF-UHFFFAOYSA-N
XLogP2.03
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-hydroxy-3-propan-2-ylphenyl)propanoate
CID 163214418
methyl 2-(4-fluoro-2-hydroxyphenyl)propanoate
CID 57447177
methyl (2R)-2-amino-2-(3,4-dichloro-2-hydroxyphenyl)acetate
CID 131463179
methyl 2-(4-hydroxy-2-methylphenyl)propanoate
CID 131289275
methyl 2-(6-chloro-2-ethyl-3-pyridinyl)propanoate
CID 118000541
2-(4-bromo-3-chloro-2-hydroxyphenyl)propanoic acid
CID 84811622
methyl 2-(2-chloro-6-fluoro-3-methylphenyl)propanoate
CID 175668376
methyl (2S)-2-(2-methoxyphenyl)propanoate
CID 12867082
methyl 2-(2-methyl-4-sulfanylphenyl)propanoate
CID 68839392
methyl (2R)-2-(4-methylnaphthalen-1-yl)propanoate
CID 102595202
3-(3-chloro-4-hydroxy-2-methoxyphenyl)butanoic acid
CID 84802667
methyl 3-(2,4-dihydroxy-3-methylphenyl)-2,3-dihydroxypropanoate
CID 171865261

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-chloro-2,4-dihydroxyphenyl)propanoate?
The IUPAC name of methyl 2-(3-chloro-2,4-dihydroxyphenyl)propanoate (CID 68634911) is methyl 2-(3-chloro-2,4-dihydroxyphenyl)propanoate.
What is the SMILES notation for methyl 2-(3-chloro-2,4-dihydroxyphenyl)propanoate?
The canonical SMILES for methyl 2-(3-chloro-2,4-dihydroxyphenyl)propanoate is COC(=O)C(C)c1ccc(O)c(Cl)c1O.
What is the InChIKey of methyl 2-(3-chloro-2,4-dihydroxyphenyl)propanoate?
The InChIKey is QYVXXSVTAYEHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO4/c1-5(10(14)15-2)6-3-4-7(12)8(11)9(6)13/h3-5,12-13H,1-2H3.
What are the key properties of methyl 2-(3-chloro-2,4-dihydroxyphenyl)propanoate?
methyl 2-(3-chloro-2,4-dihydroxyphenyl)propanoate has a molecular weight of 230.65 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-chloro-2,4-dihydroxyphenyl)propanoate is sourced from PubChem (CID 68634911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).