methyl 3-(2-chloro-4-hydroxyphenyl)-2,3-dihydroxypropanoate

C10H11ClO5 — CID 171863662

IUPACmethyl 3-(2-chloro-4-hydroxyphenyl)-2,3-dihydroxypropanoate
SMILESCOC(=O)C(O)C(O)c1ccc(O)cc1Cl
InChIInChI=1S/C10H11ClO5/c1-16-10(15)9(14)8(13)6-3-2-5(12)4-7(6)11/h2-4,8-9,12-14H,1H3
InChIKeyULKGFUZTIOFDLK-UHFFFAOYSA-N
MW246.65 g/mol
LogP0.61
Rot. Bonds3

About methyl 3-(2-chloro-4-hydroxyphenyl)-2,3-dihydroxypropanoate

methyl 3-(2-chloro-4-hydroxyphenyl)-2,3-dihydroxypropanoate (PubChem CID 171863662) has the molecular formula C10H11ClO5 and a molecular weight of 246.65 g/mol. Its IUPAC name is methyl 3-(2-chloro-4-hydroxyphenyl)-2,3-dihydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-(2-chloro-4-hydroxyphenyl)-2,3-dihydroxypropanoate
PubChem CID171863662
Molecular FormulaC10H11ClO5
Molecular Weight246.65 g/mol
Exact Mass246.03
IUPAC Namemethyl 3-(2-chloro-4-hydroxyphenyl)-2,3-dihydroxypropanoate
SMILESCOC(=O)C(O)C(O)c1ccc(O)cc1Cl
InChIInChI=1S/C10H11ClO5/c1-16-10(15)9(14)8(13)6-3-2-5(12)4-7(6)11/h2-4,8-9,12-14H,1H3
InChIKeyULKGFUZTIOFDLK-UHFFFAOYSA-N
XLogP0.61
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.65
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2,3-dihydroxy-3-(4-hydroxy-2-nitrophenyl)propanoate
CID 171864555
methyl 3-(2-chloro-5-methylphenyl)-2,3-dihydroxypropanoate
CID 171863608
methyl 2-(2-chloro-5-hydroxyphenyl)-2-hydroxyacetate
CID 117308533
methyl 2-amino-4-chloro-5-(1,2-dihydroxy-3-methoxy-3-oxopropyl)benzoate
CID 171865217
methyl 2,3-dihydroxy-3-(3-hydroxyphenyl)propanoate
CID 171863514
methyl 3-(3-chloro-2,4-difluorophenyl)-2,3-dihydroxypropanoate
CID 171863884
methyl 3-(2,4-dihydroxy-3-methylphenyl)-2,3-dihydroxypropanoate
CID 171865261
methyl 3-(4-amino-3,5-dichlorophenyl)-2,3-dihydroxypropanoate
CID 171864144
methyl 3-(4-chloro-3,5-dimethylphenyl)-2,3-dihydroxypropanoate
CID 171863894
3-(2-chloro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170823843
methyl 3-(3-chloro-4-methylphenyl)-2,3-dihydroxypropanoate
CID 171863615
methyl 3-(5-chloro-2-formylphenyl)-2,3-dihydroxypropanoate
CID 171863945

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-chloro-4-hydroxyphenyl)-2,3-dihydroxypropanoate?
The IUPAC name of methyl 3-(2-chloro-4-hydroxyphenyl)-2,3-dihydroxypropanoate (CID 171863662) is methyl 3-(2-chloro-4-hydroxyphenyl)-2,3-dihydroxypropanoate.
What is the SMILES notation for methyl 3-(2-chloro-4-hydroxyphenyl)-2,3-dihydroxypropanoate?
The canonical SMILES for methyl 3-(2-chloro-4-hydroxyphenyl)-2,3-dihydroxypropanoate is COC(=O)C(O)C(O)c1ccc(O)cc1Cl.
What is the InChIKey of methyl 3-(2-chloro-4-hydroxyphenyl)-2,3-dihydroxypropanoate?
The InChIKey is ULKGFUZTIOFDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO5/c1-16-10(15)9(14)8(13)6-3-2-5(12)4-7(6)11/h2-4,8-9,12-14H,1H3.
What are the key properties of methyl 3-(2-chloro-4-hydroxyphenyl)-2,3-dihydroxypropanoate?
methyl 3-(2-chloro-4-hydroxyphenyl)-2,3-dihydroxypropanoate has a molecular weight of 246.65 g/mol, XLogP of 0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-chloro-4-hydroxyphenyl)-2,3-dihydroxypropanoate is sourced from PubChem (CID 171863662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).