(5-acetyl-2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate

C22H26O7 — CID 8013688

IUPAC(5-acetyl-2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCCOc1ccc(C(C)=O)cc1COC(=O)Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C22H26O7/c1-6-28-18-8-7-16(14(2)23)12-17(18)13-29-21(24)11-15-9-19(25-3)22(27-5)20(10-15)26-4/h7-10,12H,6,11,13H2,1-5H3
InChIKeyGQOXFTYTKXNWKN-UHFFFAOYSA-N
MW402.44 g/mol
LogP3.60
Rot. Bonds10

About (5-acetyl-2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate

(5-acetyl-2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate (PubChem CID 8013688) has the molecular formula C22H26O7 and a molecular weight of 402.44 g/mol. Its IUPAC name is (5-acetyl-2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate.

Molecular Properties

Compound Name(5-acetyl-2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate
PubChem CID8013688
Molecular FormulaC22H26O7
Molecular Weight402.44 g/mol
Exact Mass402.17
IUPAC Name(5-acetyl-2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCCOc1ccc(C(C)=O)cc1COC(=O)Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C22H26O7/c1-6-28-18-8-7-16(14(2)23)12-17(18)13-29-21(24)11-15-9-19(25-3)22(27-5)20(10-15)26-4/h7-10,12H,6,11,13H2,1-5H3
InChIKeyGQOXFTYTKXNWKN-UHFFFAOYSA-N
XLogP3.60
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013844
(5-acetyl-2-ethoxyphenyl)methyl 3,4-dimethoxybenzoate
CID 2630514
(5-acetyl-2-ethoxyphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 9168101
(5-acetyl-2-ethoxyphenyl)methyl 3,5-dimethoxybenzoate
CID 2629792
(5-acetyl-2-methoxyphenyl)methyl 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7253721
(5-acetyl-2-methoxyphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8535665
(3,4,5-trimethoxyphenyl)methyl 3,4-diethoxybenzoate
CID 9095626
(5-acetyl-2-ethoxyphenyl)methyl 2-(4-cyanophenoxy)acetate
CID 9141014
(5-acetyl-2-ethoxyphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate
CID 7878744
(5-acetyl-2-ethoxyphenyl)methyl 4-ethoxy-5-methoxy-2-nitrobenzoate
CID 9124873
(5-acetyl-2-ethoxyphenyl)methyl 4-(2-amino-2-oxoethoxy)benzoate
CID 8678567
(5-acetyl-2-methoxyphenyl)methyl (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)prop-2-enoate
CID 7683917

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate?
The IUPAC name of (5-acetyl-2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate (CID 8013688) is (5-acetyl-2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate.
What is the SMILES notation for (5-acetyl-2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate?
The canonical SMILES for (5-acetyl-2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate is CCOc1ccc(C(C)=O)cc1COC(=O)Cc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (5-acetyl-2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate?
The InChIKey is GQOXFTYTKXNWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O7/c1-6-28-18-8-7-16(14(2)23)12-17(18)13-29-21(24)11-15-9-19(25-3)22(27-5)20(10-15)26-4/h7-10,12H,6,11,13H2,1-5H3.
What are the key properties of (5-acetyl-2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate?
(5-acetyl-2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate has a molecular weight of 402.44 g/mol, XLogP of 3.60, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate is sourced from PubChem (CID 8013688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).