methyl formate;(4-methylphenyl)methyl acetate

C12H16O4 — CID 143607807

IUPACmethyl formate;(4-methylphenyl)methyl acetate
SMILESCC(=O)OCc1ccc(C)cc1.COC=O
InChIInChI=1S/C10H12O2.C2H4O2/c1-8-3-5-10(6-4-8)7-12-9(2)11;1-4-2-3/h3-6H,7H2,1-2H3;2H,1H3
InChIKeyCGOAAEUQJSSXNU-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.85
Rot. Bonds3

About methyl formate;(4-methylphenyl)methyl acetate

methyl formate;(4-methylphenyl)methyl acetate (PubChem CID 143607807) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl formate;(4-methylphenyl)methyl acetate.

Molecular Properties

Compound Namemethyl formate;(4-methylphenyl)methyl acetate
PubChem CID143607807
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Namemethyl formate;(4-methylphenyl)methyl acetate
SMILESCC(=O)OCc1ccc(C)cc1.COC=O
InChIInChI=1S/C10H12O2.C2H4O2/c1-8-3-5-10(6-4-8)7-12-9(2)11;1-4-2-3/h3-6H,7H2,1-2H3;2H,1H3
InChIKeyCGOAAEUQJSSXNU-UHFFFAOYSA-N
XLogP1.85
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.85
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

[4-(N-[4-[4-(N-[4-(acetyloxymethyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylanilino)phenyl]methyl acetate
CID 21360304
[4-[4-(acetyloxymethyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]methyl acetate
CID 59801354
(4-fluorophenyl)methyl acetate
CID 14793785
CID 90816966
CID 90816966
methyl 2-[4-(acetyloxymethyl)phenyl]acetate
CID 14793789
benzyl acetate
CID 8785
potassium [4-(acetyloxymethyl)phenyl]azanide
CID 177177546
2-[4-(acetyloxymethyl)phenyl]acetic acid
CID 15224349
[4-[4-(acetyloxymethyl)-N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino]phenyl]methyl acetate
CID 59801352
(4-methylphenyl)methyl 2,3,4,5-tetraoxopentanoate
CID 89374582
(4-methylphenyl)methyl N-aminocarbamate
CID 13494891
(4-methylphenyl)methyl 2-chloroacetate
CID 11275652

Frequently Asked Questions

What is the IUPAC name of methyl formate;(4-methylphenyl)methyl acetate?
The IUPAC name of methyl formate;(4-methylphenyl)methyl acetate (CID 143607807) is methyl formate;(4-methylphenyl)methyl acetate.
What is the SMILES notation for methyl formate;(4-methylphenyl)methyl acetate?
The canonical SMILES for methyl formate;(4-methylphenyl)methyl acetate is CC(=O)OCc1ccc(C)cc1.COC=O.
What is the InChIKey of methyl formate;(4-methylphenyl)methyl acetate?
The InChIKey is CGOAAEUQJSSXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C2H4O2/c1-8-3-5-10(6-4-8)7-12-9(2)11;1-4-2-3/h3-6H,7H2,1-2H3;2H,1H3.
What are the key properties of methyl formate;(4-methylphenyl)methyl acetate?
methyl formate;(4-methylphenyl)methyl acetate has a molecular weight of 224.26 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl formate;(4-methylphenyl)methyl acetate is sourced from PubChem (CID 143607807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).