acetyloxymethyl 2-(2-fluoro-4-methylphenyl)acetate

C12H13FO4 — CID 58883436

IUPACacetyloxymethyl 2-(2-fluoro-4-methylphenyl)acetate
SMILESCC(=O)OCOC(=O)Cc1ccc(C)cc1F
InChIInChI=1S/C12H13FO4/c1-8-3-4-10(11(13)5-8)6-12(15)17-7-16-9(2)14/h3-5H,6-7H2,1-2H3
InChIKeySNKFEXDUBOEGPS-UHFFFAOYSA-N
MW240.23 g/mol
LogP1.74
Rot. Bonds4

About acetyloxymethyl 2-(2-fluoro-4-methylphenyl)acetate

acetyloxymethyl 2-(2-fluoro-4-methylphenyl)acetate (PubChem CID 58883436) has the molecular formula C12H13FO4 and a molecular weight of 240.23 g/mol. Its IUPAC name is acetyloxymethyl 2-(2-fluoro-4-methylphenyl)acetate.

Molecular Properties

Compound Nameacetyloxymethyl 2-(2-fluoro-4-methylphenyl)acetate
PubChem CID58883436
Molecular FormulaC12H13FO4
Molecular Weight240.23 g/mol
Exact Mass240.08
IUPAC Nameacetyloxymethyl 2-(2-fluoro-4-methylphenyl)acetate
SMILESCC(=O)OCOC(=O)Cc1ccc(C)cc1F
InChIInChI=1S/C12H13FO4/c1-8-3-4-10(11(13)5-8)6-12(15)17-7-16-9(2)14/h3-5H,6-7H2,1-2H3
InChIKeySNKFEXDUBOEGPS-UHFFFAOYSA-N
XLogP1.74
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(2-fluoro-4-methylphenyl)butan-2-one
CID 83696261
O-[(2-fluoro-4-methylphenyl)methyl]hydroxylamine
CID 117276043
methyl (2S)-2-amino-3-(2-fluoro-4-methylphenyl)propanoate;hydrochloride
CID 146160453
2,2,2-trifluoroethyl 2-(2-amino-4-methylphenyl)acetate
CID 99991426
[4-(2-ethoxy-2-oxoethyl)-3-fluorophenoxy]boronic acid
CID 169224007
2-[(2-fluoro-4-methylphenyl)methyl]guanidine;hydrochloride
CID 141469416
(2-fluoro-4-methylphenyl)methanesulfinic acid
CID 58298361
methyl 2-(2-fluoro-4-methylsulfanylphenyl)acetate
CID 91881338
ethyl 2-[2-fluoro-4-(2-hydroxyethenoxy)phenyl]acetate
CID 66917327
1-(3,3-difluoroazetidin-1-yl)-2-(2-fluoro-4-methylphenyl)ethanone
CID 123801587
ethyl 2-(2-hydrazinyl-4-methylphenyl)acetate
CID 134632289
tert-butyl N-[(2-fluoro-4-methylphenyl)methyl]carbamate
CID 158865202

Frequently Asked Questions

What is the IUPAC name of acetyloxymethyl 2-(2-fluoro-4-methylphenyl)acetate?
The IUPAC name of acetyloxymethyl 2-(2-fluoro-4-methylphenyl)acetate (CID 58883436) is acetyloxymethyl 2-(2-fluoro-4-methylphenyl)acetate.
What is the SMILES notation for acetyloxymethyl 2-(2-fluoro-4-methylphenyl)acetate?
The canonical SMILES for acetyloxymethyl 2-(2-fluoro-4-methylphenyl)acetate is CC(=O)OCOC(=O)Cc1ccc(C)cc1F.
What is the InChIKey of acetyloxymethyl 2-(2-fluoro-4-methylphenyl)acetate?
The InChIKey is SNKFEXDUBOEGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO4/c1-8-3-4-10(11(13)5-8)6-12(15)17-7-16-9(2)14/h3-5H,6-7H2,1-2H3.
What are the key properties of acetyloxymethyl 2-(2-fluoro-4-methylphenyl)acetate?
acetyloxymethyl 2-(2-fluoro-4-methylphenyl)acetate has a molecular weight of 240.23 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxymethyl 2-(2-fluoro-4-methylphenyl)acetate is sourced from PubChem (CID 58883436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).