ethyl acetate;4-methoxybenzoic acid

C12H16O5 — CID 158342660

IUPACethyl acetate;4-methoxybenzoic acid
SMILESCCOC(C)=O.COc1ccc(C(=O)O)cc1
InChIInChI=1S/C8H8O3.C4H8O2/c1-11-7-4-2-6(3-5-7)8(9)10;1-3-6-4(2)5/h2-5H,1H3,(H,9,10);3H2,1-2H3
InChIKeyGRIPVFWXPAYCRU-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.96
Rot. Bonds3

About ethyl acetate;4-methoxybenzoic acid

ethyl acetate;4-methoxybenzoic acid (PubChem CID 158342660) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is ethyl acetate;4-methoxybenzoic acid.

Molecular Properties

Compound Nameethyl acetate;4-methoxybenzoic acid
PubChem CID158342660
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Nameethyl acetate;4-methoxybenzoic acid
SMILESCCOC(C)=O.COc1ccc(C(=O)O)cc1
InChIInChI=1S/C8H8O3.C4H8O2/c1-11-7-4-2-6(3-5-7)8(9)10;1-3-6-4(2)5/h2-5H,1H3,(H,9,10);3H2,1-2H3
InChIKeyGRIPVFWXPAYCRU-UHFFFAOYSA-N
XLogP1.96
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707
4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324
dipotassium;hydride;bis(4-methoxybenzoic acid)
CID 174966715
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
ethenyl acetate;4-methoxybenzoic acid
CID 174932514
ethyl (E)-3-(4-methoxyphenyl)-2-methylbut-2-enoate
CID 14981539
ethyl 3,3-bis(4-methoxyphenyl)-2-methylprop-2-enoate
CID 19421674
2,3-diethylbutanedioic acid;ethyl 4-methoxybenzoate
CID 175299226
ethyl (2S)-3-acetyloxy-2-(4-methoxyphenyl)propanoate
CID 11346142
4-[3-(4-methoxyphenyl)propyl]benzoic acid
CID 102282707
CID 16732361
CID 16732361

Frequently Asked Questions

What is the IUPAC name of ethyl acetate;4-methoxybenzoic acid?
The IUPAC name of ethyl acetate;4-methoxybenzoic acid (CID 158342660) is ethyl acetate;4-methoxybenzoic acid.
What is the SMILES notation for ethyl acetate;4-methoxybenzoic acid?
The canonical SMILES for ethyl acetate;4-methoxybenzoic acid is CCOC(C)=O.COc1ccc(C(=O)O)cc1.
What is the InChIKey of ethyl acetate;4-methoxybenzoic acid?
The InChIKey is GRIPVFWXPAYCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.C4H8O2/c1-11-7-4-2-6(3-5-7)8(9)10;1-3-6-4(2)5/h2-5H,1H3,(H,9,10);3H2,1-2H3.
What are the key properties of ethyl acetate;4-methoxybenzoic acid?
ethyl acetate;4-methoxybenzoic acid has a molecular weight of 240.25 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;4-methoxybenzoic acid is sourced from PubChem (CID 158342660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).