(3,4,5-trimethoxyphenyl)methyl 2-(2-methoxyphenoxy)acetate

C19H22O7 — CID 18275421

IUPAC(3,4,5-trimethoxyphenyl)methyl 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)OCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H22O7/c1-21-14-7-5-6-8-15(14)25-12-18(20)26-11-13-9-16(22-2)19(24-4)17(10-13)23-3/h5-10H,11-12H2,1-4H3
InChIKeyCHBBPFCLIXQLKJ-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.84
Rot. Bonds9

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

(3,4,5-trimethoxyphenyl)methyl 2-(2-methoxyphenoxy)acetate (PubChem CID 18275421) has the molecular formula C19H22O7 and a molecular weight of 362.38 g/mol. Its IUPAC name is (3,4,5-trimethoxyphenyl)methyl 2-(2-methoxyphenoxy)acetate.

Molecular Properties

Compound Name(3,4,5-trimethoxyphenyl)methyl 2-(2-methoxyphenoxy)acetate
PubChem CID18275421
Molecular FormulaC19H22O7
Molecular Weight362.38 g/mol
Exact Mass362.14
IUPAC Name(3,4,5-trimethoxyphenyl)methyl 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)OCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H22O7/c1-21-14-7-5-6-8-15(14)25-12-18(20)26-11-13-9-16(22-2)19(24-4)17(10-13)23-3/h5-10H,11-12H2,1-4H3
InChIKeyCHBBPFCLIXQLKJ-UHFFFAOYSA-N
XLogP2.84
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3,4,5-trimethoxyphenyl)methyl 2-(4-bromophenoxy)acetate
CID 9095645
(4-nitrophenyl)methyl 2-(2-methoxyphenoxy)acetate
CID 8913485
(2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013844
(2-methoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 8778510
butyl 2-(2-methoxyphenoxy)acetate
CID 54941635
[4-(2-cyanophenyl)phenyl]methyl 2-(2-methoxyphenoxy)acetate
CID 31118216
(3,4,5-trimethoxyphenyl)methyl (3S)-3-acetamido-3-phenylpropanoate
CID 9095588
(3,4,5-trimethoxyphenyl)methyl 3,4-diethoxybenzoate
CID 9095626
(3,4,5-trimethoxyphenyl)methyl naphthalene-2-carboxylate
CID 9244590
(3,4,5-trimethoxyphenyl)methyl 4-(phenoxymethyl)benzoate
CID 9095553
[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 7854087
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7605088

Frequently Asked Questions

What is the IUPAC name of (3,4,5-trimethoxyphenyl)methyl 2-(2-methoxyphenoxy)acetate?
The IUPAC name of (3,4,5-trimethoxyphenyl)methyl 2-(2-methoxyphenoxy)acetate (CID 18275421) is (3,4,5-trimethoxyphenyl)methyl 2-(2-methoxyphenoxy)acetate.
What is the SMILES notation for (3,4,5-trimethoxyphenyl)methyl 2-(2-methoxyphenoxy)acetate?
The canonical SMILES for (3,4,5-trimethoxyphenyl)methyl 2-(2-methoxyphenoxy)acetate is COc1ccccc1OCC(=O)OCc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (3,4,5-trimethoxyphenyl)methyl 2-(2-methoxyphenoxy)acetate?
The InChIKey is CHBBPFCLIXQLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O7/c1-21-14-7-5-6-8-15(14)25-12-18(20)26-11-13-9-16(22-2)19(24-4)17(10-13)23-3/h5-10H,11-12H2,1-4H3.
What are the key properties of (3,4,5-trimethoxyphenyl)methyl 2-(2-methoxyphenoxy)acetate?
(3,4,5-trimethoxyphenyl)methyl 2-(2-methoxyphenoxy)acetate has a molecular weight of 362.38 g/mol, XLogP of 2.84, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4,5-trimethoxyphenyl)methyl 2-(2-methoxyphenoxy)acetate is sourced from PubChem (CID 18275421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).