methyl (2R)-3-(3,5-dichloro-4-hydroxyphenyl)-2-hydroxypropanoate

C10H10Cl2O4 — CID 69130979

IUPACmethyl (2R)-3-(3,5-dichloro-4-hydroxyphenyl)-2-hydroxypropanoate
SMILESCOC(=O)[C@H](O)Cc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C10H10Cl2O4/c1-16-10(15)8(13)4-5-2-6(11)9(14)7(12)3-5/h2-3,8,13-14H,4H2,1H3/t8-/m1/s1
InChIKeyMEWFSQCZBGDDTR-MRVPVSSYSA-N
MW265.09 g/mol
LogP1.78
Rot. Bonds3

About methyl (2R)-3-(3,5-dichloro-4-hydroxyphenyl)-2-hydroxypropanoate

methyl (2R)-3-(3,5-dichloro-4-hydroxyphenyl)-2-hydroxypropanoate (PubChem CID 69130979) has the molecular formula C10H10Cl2O4 and a molecular weight of 265.09 g/mol. Its IUPAC name is methyl (2R)-3-(3,5-dichloro-4-hydroxyphenyl)-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-(3,5-dichloro-4-hydroxyphenyl)-2-hydroxypropanoate
PubChem CID69130979
Molecular FormulaC10H10Cl2O4
Molecular Weight265.09 g/mol
Exact Mass264.00
IUPAC Namemethyl (2R)-3-(3,5-dichloro-4-hydroxyphenyl)-2-hydroxypropanoate
SMILESCOC(=O)[C@H](O)Cc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C10H10Cl2O4/c1-16-10(15)8(13)4-5-2-6(11)9(14)7(12)3-5/h2-3,8,13-14H,4H2,1H3/t8-/m1/s1
InChIKeyMEWFSQCZBGDDTR-MRVPVSSYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-amino-3-(3-chloro-4-hydroxy-5-methylphenyl)propanoate;hydrochloride
CID 69314172
methyl 3-(3,5-dibromo-4-methoxyphenyl)-2-hydroxypropanoate
CID 69245767
methyl 3-(3-bromo-5-fluorophenyl)-2-hydroxypropanoate
CID 79701348
methyl 2-hydroxy-3-(4-methoxyphenyl)propanoate
CID 523519
(3,5-dichloro-4-hydroxyphenyl)methyl acetate;ethane
CID 154694821
methyl (2R)-3-[4-amino-3-methyl-5-(trifluoromethyl)phenyl]-2-hydroxypropanoate
CID 69073144
methyl (2S)-2-amino-3-(4-amino-3-chloro-5-methylphenyl)propanoate
CID 171238397
2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propyl]phenol
CID 23499672
methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-2-hydroxyacetate
CID 117333182
methyl 2-amino-3-(3,4,5-trihydroxyphenyl)propanoate
CID 91499615
methyl (2S)-2-amino-2-(3-chloro-5-fluoro-2-hydroxyphenyl)acetate
CID 131512220
methyl 2-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride
CID 68772138

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-(3,5-dichloro-4-hydroxyphenyl)-2-hydroxypropanoate?
The IUPAC name of methyl (2R)-3-(3,5-dichloro-4-hydroxyphenyl)-2-hydroxypropanoate (CID 69130979) is methyl (2R)-3-(3,5-dichloro-4-hydroxyphenyl)-2-hydroxypropanoate.
What is the SMILES notation for methyl (2R)-3-(3,5-dichloro-4-hydroxyphenyl)-2-hydroxypropanoate?
The canonical SMILES for methyl (2R)-3-(3,5-dichloro-4-hydroxyphenyl)-2-hydroxypropanoate is COC(=O)[C@H](O)Cc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of methyl (2R)-3-(3,5-dichloro-4-hydroxyphenyl)-2-hydroxypropanoate?
The InChIKey is MEWFSQCZBGDDTR-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H10Cl2O4/c1-16-10(15)8(13)4-5-2-6(11)9(14)7(12)3-5/h2-3,8,13-14H,4H2,1H3/t8-/m1/s1.
What are the key properties of methyl (2R)-3-(3,5-dichloro-4-hydroxyphenyl)-2-hydroxypropanoate?
methyl (2R)-3-(3,5-dichloro-4-hydroxyphenyl)-2-hydroxypropanoate has a molecular weight of 265.09 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-(3,5-dichloro-4-hydroxyphenyl)-2-hydroxypropanoate is sourced from PubChem (CID 69130979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).