methyl 2-(2-chloro-6-fluoro-3-methylphenyl)propanoate

C11H12ClFO2 — CID 175668376

IUPACmethyl 2-(2-chloro-6-fluoro-3-methylphenyl)propanoate
SMILESCOC(=O)C(C)c1c(F)ccc(C)c1Cl
InChIInChI=1S/C11H12ClFO2/c1-6-4-5-8(13)9(10(6)12)7(2)11(14)15-3/h4-5,7H,1-3H3
InChIKeyZXLXOLPRXRRCIK-UHFFFAOYSA-N
MW230.67 g/mol
LogP3.06
Rot. Bonds2

About methyl 2-(2-chloro-6-fluoro-3-methylphenyl)propanoate

methyl 2-(2-chloro-6-fluoro-3-methylphenyl)propanoate (PubChem CID 175668376) has the molecular formula C11H12ClFO2 and a molecular weight of 230.67 g/mol. Its IUPAC name is methyl 2-(2-chloro-6-fluoro-3-methylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-chloro-6-fluoro-3-methylphenyl)propanoate
PubChem CID175668376
Molecular FormulaC11H12ClFO2
Molecular Weight230.67 g/mol
Exact Mass230.05
IUPAC Namemethyl 2-(2-chloro-6-fluoro-3-methylphenyl)propanoate
SMILESCOC(=O)C(C)c1c(F)ccc(C)c1Cl
InChIInChI=1S/C11H12ClFO2/c1-6-4-5-8(13)9(10(6)12)7(2)11(14)15-3/h4-5,7H,1-3H3
InChIKeyZXLXOLPRXRRCIK-UHFFFAOYSA-N
XLogP3.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)acetate;hydrochloride
CID 171209713
(2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)acetic acid
CID 66512428
methyl (2R)-2-amino-2-(2-chloro-3,6-difluorophenyl)acetate
CID 131624648
methyl 2-(2,5-difluorophenyl)propanoate
CID 62801922
(2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)ethanol;hydrochloride
CID 171209714
2-amino-1-(2-chloro-6-fluoro-3-methylphenyl)propan-1-one
CID 84681361
methyl (2S)-2-(2,5-difluoro-4-methylphenyl)propanoate
CID 124636879
(1S)-1-(2-chloro-6-fluoro-3-methylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171229290
3-(2-chloro-6-fluoro-3-methylphenyl)butanal
CID 117305966
methyl (2R)-2-amino-2-(3-chloro-2,6-difluorophenyl)acetate;hydrochloride
CID 171228604
methyl (2S)-2-amino-2-(6-chloro-2-fluoro-3-methylphenyl)acetate;hydrochloride
CID 171209172
methyl 2-hydroxy-2-(2,3,6-trifluorophenyl)acetate
CID 117313680

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chloro-6-fluoro-3-methylphenyl)propanoate?
The IUPAC name of methyl 2-(2-chloro-6-fluoro-3-methylphenyl)propanoate (CID 175668376) is methyl 2-(2-chloro-6-fluoro-3-methylphenyl)propanoate.
What is the SMILES notation for methyl 2-(2-chloro-6-fluoro-3-methylphenyl)propanoate?
The canonical SMILES for methyl 2-(2-chloro-6-fluoro-3-methylphenyl)propanoate is COC(=O)C(C)c1c(F)ccc(C)c1Cl.
What is the InChIKey of methyl 2-(2-chloro-6-fluoro-3-methylphenyl)propanoate?
The InChIKey is ZXLXOLPRXRRCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO2/c1-6-4-5-8(13)9(10(6)12)7(2)11(14)15-3/h4-5,7H,1-3H3.
What are the key properties of methyl 2-(2-chloro-6-fluoro-3-methylphenyl)propanoate?
methyl 2-(2-chloro-6-fluoro-3-methylphenyl)propanoate has a molecular weight of 230.67 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chloro-6-fluoro-3-methylphenyl)propanoate is sourced from PubChem (CID 175668376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).