ethyl acetate;1-methoxy-2,4-dimethylbenzene

C13H20O3 — CID 174810221

IUPACethyl acetate;1-methoxy-2,4-dimethylbenzene
SMILESCCOC(C)=O.COc1ccc(C)cc1C
InChIInChI=1S/C9H12O.C4H8O2/c1-7-4-5-9(10-3)8(2)6-7;1-3-6-4(2)5/h4-6H,1-3H3;3H2,1-2H3
InChIKeyVABIWKKHEGZKSC-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.88
Rot. Bonds2

About ethyl acetate;1-methoxy-2,4-dimethylbenzene

ethyl acetate;1-methoxy-2,4-dimethylbenzene (PubChem CID 174810221) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is ethyl acetate;1-methoxy-2,4-dimethylbenzene.

Molecular Properties

Compound Nameethyl acetate;1-methoxy-2,4-dimethylbenzene
PubChem CID174810221
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Nameethyl acetate;1-methoxy-2,4-dimethylbenzene
SMILESCCOC(C)=O.COc1ccc(C)cc1C
InChIInChI=1S/C9H12O.C4H8O2/c1-7-4-5-9(10-3)8(2)6-7;1-3-6-4(2)5/h4-6H,1-3H3;3H2,1-2H3
InChIKeyVABIWKKHEGZKSC-UHFFFAOYSA-N
XLogP2.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-2,4-dimethylbenzene;propane
CID 54037455
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
ethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate
CID 10775496
2-[N-(2-acetyloxyethyl)-2-methoxy-5-methylanilino]ethyl acetate
CID 57325233
2-acetamido-2-ethylbutanoic acid;1-methoxy-2,4-dimethylbenzene
CID 174324695
2-hydroxy-1-(2-methoxy-5-methylphenyl)butan-1-one
CID 103452969
ethyl (4-methoxy-3-methylphenyl)sulfanylformate
CID 117035892
ethyl 2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]butanoate
CID 62393496
ethyl 5-ethenyl-2-methoxybenzoate
CID 172649040
(2,4-dimethylphenyl) 2-methoxyethyl carbonate
CID 118088611
(2,4-dimethylphenyl) 2-methylbutanoate
CID 20826576
3-(2,4-dimethylphenoxy)pentan-2-one
CID 54360521

Frequently Asked Questions

What is the IUPAC name of ethyl acetate;1-methoxy-2,4-dimethylbenzene?
The IUPAC name of ethyl acetate;1-methoxy-2,4-dimethylbenzene (CID 174810221) is ethyl acetate;1-methoxy-2,4-dimethylbenzene.
What is the SMILES notation for ethyl acetate;1-methoxy-2,4-dimethylbenzene?
The canonical SMILES for ethyl acetate;1-methoxy-2,4-dimethylbenzene is CCOC(C)=O.COc1ccc(C)cc1C.
What is the InChIKey of ethyl acetate;1-methoxy-2,4-dimethylbenzene?
The InChIKey is VABIWKKHEGZKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C4H8O2/c1-7-4-5-9(10-3)8(2)6-7;1-3-6-4(2)5/h4-6H,1-3H3;3H2,1-2H3.
What are the key properties of ethyl acetate;1-methoxy-2,4-dimethylbenzene?
ethyl acetate;1-methoxy-2,4-dimethylbenzene has a molecular weight of 224.30 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;1-methoxy-2,4-dimethylbenzene is sourced from PubChem (CID 174810221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).