methyl 2-[2-chloro-4-(1-fluoroethyl)phenyl]-2-hydroxyacetate

C11H12ClFO3 — CID 117369181

IUPACmethyl 2-[2-chloro-4-(1-fluoroethyl)phenyl]-2-hydroxyacetate
SMILESCOC(=O)C(O)c1ccc(C(C)F)cc1Cl
InChIInChI=1S/C11H12ClFO3/c1-6(13)7-3-4-8(9(12)5-7)10(14)11(15)16-2/h3-6,10,14H,1-2H3
InChIKeyRKKCKAGRBBNDAQ-UHFFFAOYSA-N
MW246.66 g/mol
LogP2.58
Rot. Bonds3

About methyl 2-[2-chloro-4-(1-fluoroethyl)phenyl]-2-hydroxyacetate

methyl 2-[2-chloro-4-(1-fluoroethyl)phenyl]-2-hydroxyacetate (PubChem CID 117369181) has the molecular formula C11H12ClFO3 and a molecular weight of 246.66 g/mol. Its IUPAC name is methyl 2-[2-chloro-4-(1-fluoroethyl)phenyl]-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-[2-chloro-4-(1-fluoroethyl)phenyl]-2-hydroxyacetate
PubChem CID117369181
Molecular FormulaC11H12ClFO3
Molecular Weight246.66 g/mol
Exact Mass246.05
IUPAC Namemethyl 2-[2-chloro-4-(1-fluoroethyl)phenyl]-2-hydroxyacetate
SMILESCOC(=O)C(O)c1ccc(C(C)F)cc1Cl
InChIInChI=1S/C11H12ClFO3/c1-6(13)7-3-4-8(9(12)5-7)10(14)11(15)16-2/h3-6,10,14H,1-2H3
InChIKeyRKKCKAGRBBNDAQ-UHFFFAOYSA-N
XLogP2.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.66
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-chloro-5-hydroxyphenyl)-2-hydroxyacetate
CID 117308533
methyl 2-(3,4-dichlorophenyl)propanoate
CID 11402033
methyl 2-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117424988
methyl 2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-2-hydroxyacetate
CID 117460126
methyl 2-[3-chloro-4-(1-methylazetidin-3-yl)phenyl]-2-hydroxyacetate
CID 117427299
methyl 2-(3-chloro-4-methylsulfanylphenyl)propanoate
CID 70816255
3-[2-chloro-4-(1-fluoroethyl)phenyl]butanal
CID 117329604
methyl 2-hydroxy-2-(3-methoxy-4-propan-2-ylphenyl)acetate
CID 117349069
methyl 2-(3-chloro-2-methylphenyl)-2-hydroxyacetate
CID 117305843
methyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate
CID 129367520
methyl 3-(3-chloro-4-hydroxyphenyl)-3-hydroxy-2-methylpropanoate
CID 62394188
methyl 2-(6-chloro-1,3-benzodioxol-5-yl)-2-hydroxyacetate
CID 22467215

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-chloro-4-(1-fluoroethyl)phenyl]-2-hydroxyacetate?
The IUPAC name of methyl 2-[2-chloro-4-(1-fluoroethyl)phenyl]-2-hydroxyacetate (CID 117369181) is methyl 2-[2-chloro-4-(1-fluoroethyl)phenyl]-2-hydroxyacetate.
What is the SMILES notation for methyl 2-[2-chloro-4-(1-fluoroethyl)phenyl]-2-hydroxyacetate?
The canonical SMILES for methyl 2-[2-chloro-4-(1-fluoroethyl)phenyl]-2-hydroxyacetate is COC(=O)C(O)c1ccc(C(C)F)cc1Cl.
What is the InChIKey of methyl 2-[2-chloro-4-(1-fluoroethyl)phenyl]-2-hydroxyacetate?
The InChIKey is RKKCKAGRBBNDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO3/c1-6(13)7-3-4-8(9(12)5-7)10(14)11(15)16-2/h3-6,10,14H,1-2H3.
What are the key properties of methyl 2-[2-chloro-4-(1-fluoroethyl)phenyl]-2-hydroxyacetate?
methyl 2-[2-chloro-4-(1-fluoroethyl)phenyl]-2-hydroxyacetate has a molecular weight of 246.66 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-chloro-4-(1-fluoroethyl)phenyl]-2-hydroxyacetate is sourced from PubChem (CID 117369181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).