methyl 2-(3-chloro-5-fluoro-2-methylphenyl)acetate

C10H10ClFO2 — CID 130837002

IUPACmethyl 2-(3-chloro-5-fluoro-2-methylphenyl)acetate
SMILESCOC(=O)Cc1cc(F)cc(Cl)c1C
InChIInChI=1S/C10H10ClFO2/c1-6-7(4-10(13)14-2)3-8(12)5-9(6)11/h3,5H,4H2,1-2H3
InChIKeyYZCSWZPBZJGHCY-UHFFFAOYSA-N
MW216.64 g/mol
LogP2.50
Rot. Bonds2

About methyl 2-(3-chloro-5-fluoro-2-methylphenyl)acetate

methyl 2-(3-chloro-5-fluoro-2-methylphenyl)acetate (PubChem CID 130837002) has the molecular formula C10H10ClFO2 and a molecular weight of 216.64 g/mol. Its IUPAC name is methyl 2-(3-chloro-5-fluoro-2-methylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-chloro-5-fluoro-2-methylphenyl)acetate
PubChem CID130837002
Molecular FormulaC10H10ClFO2
Molecular Weight216.64 g/mol
Exact Mass216.04
IUPAC Namemethyl 2-(3-chloro-5-fluoro-2-methylphenyl)acetate
SMILESCOC(=O)Cc1cc(F)cc(Cl)c1C
InChIInChI=1S/C10H10ClFO2/c1-6-7(4-10(13)14-2)3-8(12)5-9(6)11/h3,5H,4H2,1-2H3
InChIKeyYZCSWZPBZJGHCY-UHFFFAOYSA-N
XLogP2.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(3,5-dichloro-4-methylphenyl)acetate
CID 121228410
methyl 2-(4,5-dichloro-2-methoxyphenyl)acetate
CID 82553977
methyl 2-(3,5-dichloro-2-fluorophenyl)acetate
CID 121228358
methyl 2-(5-fluoro-2-formyl-3-methylphenyl)acetate
CID 171011164
methyl 2-(2,4,6-trifluorophenyl)acetate
CID 66608247
methyl 2-(2-chloro-5-methylphenyl)acetate
CID 86187737
methyl 2-[3-(chloromethyl)-2-cyano-5-fluorophenyl]acetate
CID 131413127
methyl 3-(2,6-dichloro-4-fluoroanilino)propanoate
CID 83079052
methyl 2-[2-(chloromethyl)-4,5-dimethylphenyl]acetate
CID 171020528
methyl 2-[4-chloro-6-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 134672119
methyl 2-[3-(bromomethyl)-5-fluorophenyl]acetate
CID 99769923
methyl 2-(2,5-dibromo-3-chlorophenyl)acetate
CID 171033937

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-chloro-5-fluoro-2-methylphenyl)acetate?
The IUPAC name of methyl 2-(3-chloro-5-fluoro-2-methylphenyl)acetate (CID 130837002) is methyl 2-(3-chloro-5-fluoro-2-methylphenyl)acetate.
What is the SMILES notation for methyl 2-(3-chloro-5-fluoro-2-methylphenyl)acetate?
The canonical SMILES for methyl 2-(3-chloro-5-fluoro-2-methylphenyl)acetate is COC(=O)Cc1cc(F)cc(Cl)c1C.
What is the InChIKey of methyl 2-(3-chloro-5-fluoro-2-methylphenyl)acetate?
The InChIKey is YZCSWZPBZJGHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO2/c1-6-7(4-10(13)14-2)3-8(12)5-9(6)11/h3,5H,4H2,1-2H3.
What are the key properties of methyl 2-(3-chloro-5-fluoro-2-methylphenyl)acetate?
methyl 2-(3-chloro-5-fluoro-2-methylphenyl)acetate has a molecular weight of 216.64 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-chloro-5-fluoro-2-methylphenyl)acetate is sourced from PubChem (CID 130837002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).