methyl 2,6-difluoro-3-methoxy-5-methylbenzoate

C10H10F2O3 — CID 90163848

IUPACmethyl 2,6-difluoro-3-methoxy-5-methylbenzoate
SMILESCOC(=O)c1c(F)c(C)cc(OC)c1F
InChIInChI=1S/C10H10F2O3/c1-5-4-6(14-2)9(12)7(8(5)11)10(13)15-3/h4H,1-3H3
InChIKeyVDSDEEJBZDDIJW-UHFFFAOYSA-N
MW216.18 g/mol
LogP2.07
Rot. Bonds2

About methyl 2,6-difluoro-3-methoxy-5-methylbenzoate

methyl 2,6-difluoro-3-methoxy-5-methylbenzoate (PubChem CID 90163848) has the molecular formula C10H10F2O3 and a molecular weight of 216.18 g/mol. Its IUPAC name is methyl 2,6-difluoro-3-methoxy-5-methylbenzoate.

Molecular Properties

Compound Namemethyl 2,6-difluoro-3-methoxy-5-methylbenzoate
PubChem CID90163848
Molecular FormulaC10H10F2O3
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Namemethyl 2,6-difluoro-3-methoxy-5-methylbenzoate
SMILESCOC(=O)c1c(F)c(C)cc(OC)c1F
InChIInChI=1S/C10H10F2O3/c1-5-4-6(14-2)9(12)7(8(5)11)10(13)15-3/h4H,1-3H3
InChIKeyVDSDEEJBZDDIJW-UHFFFAOYSA-N
XLogP2.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-6-fluoro-5-methoxy-3-methylbenzoate
CID 102741920
methyl 3-amino-2,6-difluoro-5-methylbenzoate
CID 84669845
methyl 2,3,4-trimethoxy-6-methylbenzoate
CID 59466592
methyl 2,6-difluoro-3-methylbenzoate
CID 55255639
methyl 6-bromo-2-fluoro-3-methoxybenzoate
CID 67053695
methyl 3-bromo-2,6-dimethoxy-4-methylbenzoate
CID 121224482
methyl 5-tert-butyl-2-fluoro-6-hydroxy-3-methylbenzoate
CID 144982428
methyl 2,5-difluoro-3-methoxybenzoate
CID 130786948
methyl 2-amino-6-bromo-5-methoxy-3-methylbenzoate
CID 151904268
methyl 2,3-difluoro-5-methoxy-4-methylbenzoate
CID 163198256
methyl 3,6-dimethoxy-2-methylbenzoate
CID 10536412
2-chloro-6-fluoro-5-methoxy-3-methylaniline;2-chloro-6-fluoro-5-methoxy-3-methylbenzoic acid
CID 157165383

Frequently Asked Questions

What is the IUPAC name of methyl 2,6-difluoro-3-methoxy-5-methylbenzoate?
The IUPAC name of methyl 2,6-difluoro-3-methoxy-5-methylbenzoate (CID 90163848) is methyl 2,6-difluoro-3-methoxy-5-methylbenzoate.
What is the SMILES notation for methyl 2,6-difluoro-3-methoxy-5-methylbenzoate?
The canonical SMILES for methyl 2,6-difluoro-3-methoxy-5-methylbenzoate is COC(=O)c1c(F)c(C)cc(OC)c1F.
What is the InChIKey of methyl 2,6-difluoro-3-methoxy-5-methylbenzoate?
The InChIKey is VDSDEEJBZDDIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O3/c1-5-4-6(14-2)9(12)7(8(5)11)10(13)15-3/h4H,1-3H3.
What are the key properties of methyl 2,6-difluoro-3-methoxy-5-methylbenzoate?
methyl 2,6-difluoro-3-methoxy-5-methylbenzoate has a molecular weight of 216.18 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,6-difluoro-3-methoxy-5-methylbenzoate is sourced from PubChem (CID 90163848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).