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

C10H9ClF2O4 — CID 171863884

IUPACmethyl 3-(3-chloro-2,4-difluorophenyl)-2,3-dihydroxypropanoate
SMILESCOC(=O)C(O)C(O)c1ccc(F)c(Cl)c1F
InChIInChI=1S/C10H9ClF2O4/c1-17-10(16)9(15)8(14)4-2-3-5(12)6(11)7(4)13/h2-3,8-9,14-15H,1H3
InChIKeyIXOSGZDBOXYPLO-UHFFFAOYSA-N
MW266.63 g/mol
LogP1.19
Rot. Bonds3

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

methyl 3-(3-chloro-2,4-difluorophenyl)-2,3-dihydroxypropanoate (PubChem CID 171863884) has the molecular formula C10H9ClF2O4 and a molecular weight of 266.63 g/mol. Its IUPAC name is methyl 3-(3-chloro-2,4-difluorophenyl)-2,3-dihydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-(3-chloro-2,4-difluorophenyl)-2,3-dihydroxypropanoate
PubChem CID171863884
Molecular FormulaC10H9ClF2O4
Molecular Weight266.63 g/mol
Exact Mass266.02
IUPAC Namemethyl 3-(3-chloro-2,4-difluorophenyl)-2,3-dihydroxypropanoate
SMILESCOC(=O)C(O)C(O)c1ccc(F)c(Cl)c1F
InChIInChI=1S/C10H9ClF2O4/c1-17-10(16)9(15)8(14)4-2-3-5(12)6(11)7(4)13/h2-3,8-9,14-15H,1H3
InChIKeyIXOSGZDBOXYPLO-UHFFFAOYSA-N
XLogP1.19
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.63
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(2,3-difluorophenyl)-2,3-dihydroxypropanoate
CID 171863644
methyl 2,3-dihydroxy-3-(2,3,6-trifluorophenyl)propanoate
CID 171863882
methyl 3-(2-chloro-4-hydroxyphenyl)-2,3-dihydroxypropanoate
CID 171863662
methyl 3-(3-fluoro-2-methylphenyl)-2,3-dihydroxypropanoate
CID 171863620
methyl 3-(5-chloro-2-formylphenyl)-2,3-dihydroxypropanoate
CID 171863945
methyl 3-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dihydroxypropanoate
CID 171864579
methyl 3-(3,4-difluorophenyl)-2,3-dihydroxypropanoate
CID 171863651
methyl 3-(4-amino-5-fluoro-2-methylphenyl)-2,3-dihydroxypropanoate
CID 171864078
methyl 3-(3,4-dichloro-5-fluorophenyl)-2,3-dihydroxypropanoate
CID 171863889
methyl 3-(2-fluoro-4,5-dimethoxyphenyl)-2,3-dihydroxypropanoate
CID 171865301
benzyl N-[3-(3-chloro-2,4-difluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 171855742
methyl (2R)-2-amino-2-(2-chloro-3,6-difluorophenyl)acetate
CID 131624648

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-chloro-2,4-difluorophenyl)-2,3-dihydroxypropanoate?
The IUPAC name of methyl 3-(3-chloro-2,4-difluorophenyl)-2,3-dihydroxypropanoate (CID 171863884) is methyl 3-(3-chloro-2,4-difluorophenyl)-2,3-dihydroxypropanoate.
What is the SMILES notation for methyl 3-(3-chloro-2,4-difluorophenyl)-2,3-dihydroxypropanoate?
The canonical SMILES for methyl 3-(3-chloro-2,4-difluorophenyl)-2,3-dihydroxypropanoate is COC(=O)C(O)C(O)c1ccc(F)c(Cl)c1F.
What is the InChIKey of methyl 3-(3-chloro-2,4-difluorophenyl)-2,3-dihydroxypropanoate?
The InChIKey is IXOSGZDBOXYPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2O4/c1-17-10(16)9(15)8(14)4-2-3-5(12)6(11)7(4)13/h2-3,8-9,14-15H,1H3.
What are the key properties of methyl 3-(3-chloro-2,4-difluorophenyl)-2,3-dihydroxypropanoate?
methyl 3-(3-chloro-2,4-difluorophenyl)-2,3-dihydroxypropanoate has a molecular weight of 266.63 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-chloro-2,4-difluorophenyl)-2,3-dihydroxypropanoate is sourced from PubChem (CID 171863884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).