(2,6-dichlorophenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate

C18H18Cl2O5 — CID 2434345

IUPAC(2,6-dichlorophenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOc1cc(CC(=O)OCc2c(Cl)cccc2Cl)cc(OC)c1OC
InChIInChI=1S/C18H18Cl2O5/c1-22-15-7-11(8-16(23-2)18(15)24-3)9-17(21)25-10-12-13(19)5-4-6-14(12)20/h4-8H,9-10H2,1-3H3
InChIKeyQJIUNVDXQAPFGG-UHFFFAOYSA-N
MW385.24 g/mol
LogP4.31
Rot. Bonds7

About (2,6-dichlorophenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate

(2,6-dichlorophenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate (PubChem CID 2434345) has the molecular formula C18H18Cl2O5 and a molecular weight of 385.24 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate
PubChem CID2434345
Molecular FormulaC18H18Cl2O5
Molecular Weight385.24 g/mol
Exact Mass384.05
IUPAC Name(2,6-dichlorophenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOc1cc(CC(=O)OCc2c(Cl)cccc2Cl)cc(OC)c1OC
InChIInChI=1S/C18H18Cl2O5/c1-22-15-7-11(8-16(23-2)18(15)24-3)9-17(21)25-10-12-13(19)5-4-6-14(12)20/h4-8H,9-10H2,1-3H3
InChIKeyQJIUNVDXQAPFGG-UHFFFAOYSA-N
XLogP4.31
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.24
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-nitrophenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate
CID 5191268
(2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013844
(2,6-dichlorophenyl)methyl butanoate
CID 18398420
(2-methoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 8778510
(2-chloro-5-methylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 7921059
(2,6-dichlorophenyl)methyl 3,4-dimethoxybenzoate
CID 925956
(2-chloro-7-methylsulfanylquinolin-3-yl)methyl 2-(3,4,5-trimethoxyphenyl)acetate
CID 24683783
(2,6-dichlorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 8933305
3-chloro-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline
CID 19624482
(5-acetyl-2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013688
(3,4,5-trimethoxyphenyl)methyl 3-chlorobenzoate
CID 18150581
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 2-(3,4,5-trimethoxyphenyl)acetate
CID 32762869

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate?
The IUPAC name of (2,6-dichlorophenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate (CID 2434345) is (2,6-dichlorophenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate.
What is the SMILES notation for (2,6-dichlorophenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate?
The canonical SMILES for (2,6-dichlorophenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate is COc1cc(CC(=O)OCc2c(Cl)cccc2Cl)cc(OC)c1OC.
What is the InChIKey of (2,6-dichlorophenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate?
The InChIKey is QJIUNVDXQAPFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2O5/c1-22-15-7-11(8-16(23-2)18(15)24-3)9-17(21)25-10-12-13(19)5-4-6-14(12)20/h4-8H,9-10H2,1-3H3.
What are the key properties of (2,6-dichlorophenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate?
(2,6-dichlorophenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate has a molecular weight of 385.24 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate is sourced from PubChem (CID 2434345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).