methyl 3-(2-chloro-3-fluorophenyl)-2-hydroxypropanoate

C10H10ClFO3 — CID 112653100

IUPACmethyl 3-(2-chloro-3-fluorophenyl)-2-hydroxypropanoate
SMILESCOC(=O)C(O)Cc1cccc(F)c1Cl
InChIInChI=1S/C10H10ClFO3/c1-15-10(14)8(13)5-6-3-2-4-7(12)9(6)11/h2-4,8,13H,5H2,1H3
InChIKeyKGSSVLWOTYVPCJ-UHFFFAOYSA-N
MW232.64 g/mol
LogP1.56
Rot. Bonds3

About methyl 3-(2-chloro-3-fluorophenyl)-2-hydroxypropanoate

methyl 3-(2-chloro-3-fluorophenyl)-2-hydroxypropanoate (PubChem CID 112653100) has the molecular formula C10H10ClFO3 and a molecular weight of 232.64 g/mol. Its IUPAC name is methyl 3-(2-chloro-3-fluorophenyl)-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-(2-chloro-3-fluorophenyl)-2-hydroxypropanoate
PubChem CID112653100
Molecular FormulaC10H10ClFO3
Molecular Weight232.64 g/mol
Exact Mass232.03
IUPAC Namemethyl 3-(2-chloro-3-fluorophenyl)-2-hydroxypropanoate
SMILESCOC(=O)C(O)Cc1cccc(F)c1Cl
InChIInChI=1S/C10H10ClFO3/c1-15-10(14)8(13)5-6-3-2-4-7(12)9(6)11/h2-4,8,13H,5H2,1H3
InChIKeyKGSSVLWOTYVPCJ-UHFFFAOYSA-N
XLogP1.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.64
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-3-fluorophenyl)-3-methoxybutan-2-ol
CID 112653497
methyl 3-[(2-chloro-3-fluorophenyl)methylsulfonyl]-2-methylpropanoate
CID 112652314
1-amino-3-(2-chloro-3-fluorophenyl)propan-2-ol
CID 112653165
3-(2-chloro-3-fluorophenyl)-1,1-dimethoxypropan-2-amine
CID 112653856
methyl 2-chloro-3-(2,3-difluorophenyl)propanoate
CID 83195193
1-(2-chloro-3-fluorophenyl)-5-methoxypentan-2-ol
CID 112653463
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 112653011
1-(2-chloro-3-fluorophenyl)-4-methylpentan-3-one
CID 112652607
methyl (2R)-2-amino-3-(3-chloro-2-fluorophenyl)propanoate
CID 171238083
methyl (2R)-3-[2-(difluoromethoxy)phenyl]-2-hydroxypropanoate
CID 131742808
1-(2-chloro-3-fluorophenyl)-3-(2-methoxyethoxy)propan-2-amine
CID 114032967
1-(2-chloro-3-fluorophenyl)-3-methylsulfonylbutan-2-ol
CID 115831192

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-chloro-3-fluorophenyl)-2-hydroxypropanoate?
The IUPAC name of methyl 3-(2-chloro-3-fluorophenyl)-2-hydroxypropanoate (CID 112653100) is methyl 3-(2-chloro-3-fluorophenyl)-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-(2-chloro-3-fluorophenyl)-2-hydroxypropanoate?
The canonical SMILES for methyl 3-(2-chloro-3-fluorophenyl)-2-hydroxypropanoate is COC(=O)C(O)Cc1cccc(F)c1Cl.
What is the InChIKey of methyl 3-(2-chloro-3-fluorophenyl)-2-hydroxypropanoate?
The InChIKey is KGSSVLWOTYVPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO3/c1-15-10(14)8(13)5-6-3-2-4-7(12)9(6)11/h2-4,8,13H,5H2,1H3.
What are the key properties of methyl 3-(2-chloro-3-fluorophenyl)-2-hydroxypropanoate?
methyl 3-(2-chloro-3-fluorophenyl)-2-hydroxypropanoate has a molecular weight of 232.64 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-chloro-3-fluorophenyl)-2-hydroxypropanoate is sourced from PubChem (CID 112653100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).