methyl 2-(2-fluoro-5-formyl-3-methoxyphenyl)acetate

C11H11FO4 — CID 171022888

IUPACmethyl 2-(2-fluoro-5-formyl-3-methoxyphenyl)acetate
SMILESCOC(=O)Cc1cc(C=O)cc(OC)c1F
InChIInChI=1S/C11H11FO4/c1-15-9-4-7(6-13)3-8(11(9)12)5-10(14)16-2/h3-4,6H,5H2,1-2H3
InChIKeyJGHGDIVEHGJIDI-UHFFFAOYSA-N
MW226.20 g/mol
LogP1.36
Rot. Bonds4

About methyl 2-(2-fluoro-5-formyl-3-methoxyphenyl)acetate

methyl 2-(2-fluoro-5-formyl-3-methoxyphenyl)acetate (PubChem CID 171022888) has the molecular formula C11H11FO4 and a molecular weight of 226.20 g/mol. Its IUPAC name is methyl 2-(2-fluoro-5-formyl-3-methoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-fluoro-5-formyl-3-methoxyphenyl)acetate
PubChem CID171022888
Molecular FormulaC11H11FO4
Molecular Weight226.20 g/mol
Exact Mass226.06
IUPAC Namemethyl 2-(2-fluoro-5-formyl-3-methoxyphenyl)acetate
SMILESCOC(=O)Cc1cc(C=O)cc(OC)c1F
InChIInChI=1S/C11H11FO4/c1-15-9-4-7(6-13)3-8(11(9)12)5-10(14)16-2/h3-4,6H,5H2,1-2H3
InChIKeyJGHGDIVEHGJIDI-UHFFFAOYSA-N
XLogP1.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(5-fluoro-3-formyl-2-methoxyphenyl)acetate
CID 171010529
methyl 2-(5-fluoro-2-formyl-3-methylphenyl)acetate
CID 171011164
methyl 3-ethyl-2-fluoro-5-formylbenzoate
CID 164894561
3-ethyl-4,5-dimethoxybenzaldehyde
CID 88965998
methyl 2-(2-fluoro-4-formyl-5-nitrophenyl)acetate
CID 171010654
methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 882523
amino 2-(4-formyl-2-methoxyphenyl)acetate
CID 175512455
methyl 2-(2-fluoro-5-formylphenoxy)acetate
CID 168890908
methyl 2-(2,6-difluoro-4-formylphenoxy)acetate
CID 79891826
(4-formyl-2,6-dimethoxyphenyl) trifluoromethanesulfonate
CID 11045242
methyl 2-[2-fluoro-5-(3-formylphenyl)phenyl]acetate
CID 176548334
(4-formyl-2-methoxy-6-prop-2-enylphenyl) 2-(4-fluorophenyl)acetate
CID 39199735

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluoro-5-formyl-3-methoxyphenyl)acetate?
The IUPAC name of methyl 2-(2-fluoro-5-formyl-3-methoxyphenyl)acetate (CID 171022888) is methyl 2-(2-fluoro-5-formyl-3-methoxyphenyl)acetate.
What is the SMILES notation for methyl 2-(2-fluoro-5-formyl-3-methoxyphenyl)acetate?
The canonical SMILES for methyl 2-(2-fluoro-5-formyl-3-methoxyphenyl)acetate is COC(=O)Cc1cc(C=O)cc(OC)c1F.
What is the InChIKey of methyl 2-(2-fluoro-5-formyl-3-methoxyphenyl)acetate?
The InChIKey is JGHGDIVEHGJIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO4/c1-15-9-4-7(6-13)3-8(11(9)12)5-10(14)16-2/h3-4,6H,5H2,1-2H3.
What are the key properties of methyl 2-(2-fluoro-5-formyl-3-methoxyphenyl)acetate?
methyl 2-(2-fluoro-5-formyl-3-methoxyphenyl)acetate has a molecular weight of 226.20 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluoro-5-formyl-3-methoxyphenyl)acetate is sourced from PubChem (CID 171022888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).