methyl 2-(4-acetyloxy-3-methoxyphenyl)acetate

C12H14O5 — CID 586458

IUPACmethyl 2-(4-acetyloxy-3-methoxyphenyl)acetate
SMILESCOC(=O)Cc1ccc(OC(C)=O)c(OC)c1
InChIInChI=1S/C12H14O5/c1-8(13)17-10-5-4-9(6-11(10)15-2)7-12(14)16-3/h4-6H,7H2,1-3H3
InChIKeySEHYXBTZDJXHIT-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.34
Rot. Bonds4

About methyl 2-(4-acetyloxy-3-methoxyphenyl)acetate

methyl 2-(4-acetyloxy-3-methoxyphenyl)acetate (PubChem CID 586458) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is methyl 2-(4-acetyloxy-3-methoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-acetyloxy-3-methoxyphenyl)acetate
PubChem CID586458
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Namemethyl 2-(4-acetyloxy-3-methoxyphenyl)acetate
SMILESCOC(=O)Cc1ccc(OC(C)=O)c(OC)c1
InChIInChI=1S/C12H14O5/c1-8(13)17-10-5-4-9(6-11(10)15-2)7-12(14)16-3/h4-6H,7H2,1-3H3
InChIKeySEHYXBTZDJXHIT-UHFFFAOYSA-N
XLogP1.34
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-ethyl-2-methoxyphenyl) acetate;propane
CID 160615709
[2-methoxy-4-(2-methoxy-2-oxoethyl)phenyl] 3,4,5-trihydroxybenzoate
CID 89045538
methyl 3-(4-acetyloxy-3-methoxyphenyl)-2-aminopropanoate
CID 170883282
[2-acetyloxy-4-[2-(methylamino)-2-oxoethyl]phenyl] acetate
CID 139641556
(2-methoxy-4-prop-2-ynylphenyl) acetate
CID 101260759
methyl 2-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]acetate
CID 134307216
[tert-butyl(dimethyl)silyl] 2-(3-acetyloxy-4-methoxyphenyl)acetate
CID 91737540
[4-[4-[4-(4-acetyloxy-3-methoxyphenyl)butoxy]butyl]-2-methoxyphenyl] acetate
CID 156696041
acetic acid;(2-methoxy-4-prop-2-enylphenyl) acetate
CID 159570421
[4-(2,3-dihydroxypropyl)-2-methoxyphenyl] acetate
CID 71332482
2-[4-[2-(4-hydroxy-3-methoxyphenyl)acetyl]oxy-3-methoxyphenyl]acetic acid
CID 54022503
[2-acetyloxy-4-(2-hydroxyethyl)phenyl] acetate
CID 11694368

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-acetyloxy-3-methoxyphenyl)acetate?
The IUPAC name of methyl 2-(4-acetyloxy-3-methoxyphenyl)acetate (CID 586458) is methyl 2-(4-acetyloxy-3-methoxyphenyl)acetate.
What is the SMILES notation for methyl 2-(4-acetyloxy-3-methoxyphenyl)acetate?
The canonical SMILES for methyl 2-(4-acetyloxy-3-methoxyphenyl)acetate is COC(=O)Cc1ccc(OC(C)=O)c(OC)c1.
What is the InChIKey of methyl 2-(4-acetyloxy-3-methoxyphenyl)acetate?
The InChIKey is SEHYXBTZDJXHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c1-8(13)17-10-5-4-9(6-11(10)15-2)7-12(14)16-3/h4-6H,7H2,1-3H3.
What are the key properties of methyl 2-(4-acetyloxy-3-methoxyphenyl)acetate?
methyl 2-(4-acetyloxy-3-methoxyphenyl)acetate has a molecular weight of 238.24 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-acetyloxy-3-methoxyphenyl)acetate is sourced from PubChem (CID 586458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).