(3,4-dimethoxyphenyl)methyl 2-[2-[2-[2-[(3,4-dimethoxyphenyl)methoxy]-2-oxoethyl]phenyl]phenyl]acetate

C34H34O8 — CID 24764052

IUPAC(3,4-dimethoxyphenyl)methyl 2-[2-[2-[2-[(3,4-dimethoxyphenyl)methoxy]-2-oxoethyl]phenyl]phenyl]acetate
SMILESCOc1ccc(COC(=O)Cc2ccccc2-c2ccccc2CC(=O)OCc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C34H34O8/c1-37-29-15-13-23(17-31(29)39-3)21-41-33(35)19-25-9-5-7-11-27(25)28-12-8-6-10-26(28)20-34(36)42-22-24-14-16-30(38-2)32(18-24)40-4/h5-18H,19-22H2,1-4H3
InChIKeyUKPJPKNLOXFGPV-UHFFFAOYSA-N
MW570.64 g/mol
LogP5.96
Rot. Bonds13

About (3,4-dimethoxyphenyl)methyl 2-[2-[2-[2-[(3,4-dimethoxyphenyl)methoxy]-2-oxoethyl]phenyl]phenyl]acetate

(3,4-dimethoxyphenyl)methyl 2-[2-[2-[2-[(3,4-dimethoxyphenyl)methoxy]-2-oxoethyl]phenyl]phenyl]acetate (PubChem CID 24764052) has the molecular formula C34H34O8 and a molecular weight of 570.64 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)methyl 2-[2-[2-[2-[(3,4-dimethoxyphenyl)methoxy]-2-oxoethyl]phenyl]phenyl]acetate.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)methyl 2-[2-[2-[2-[(3,4-dimethoxyphenyl)methoxy]-2-oxoethyl]phenyl]phenyl]acetate
PubChem CID24764052
Molecular FormulaC34H34O8
Molecular Weight570.64 g/mol
Exact Mass570.23
IUPAC Name(3,4-dimethoxyphenyl)methyl 2-[2-[2-[2-[(3,4-dimethoxyphenyl)methoxy]-2-oxoethyl]phenyl]phenyl]acetate
SMILESCOc1ccc(COC(=O)Cc2ccccc2-c2ccccc2CC(=O)OCc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C34H34O8/c1-37-29-15-13-23(17-31(29)39-3)21-41-33(35)19-25-9-5-7-11-27(25)28-12-8-6-10-26(28)20-34(36)42-22-24-14-16-30(38-2)32(18-24)40-4/h5-18H,19-22H2,1-4H3
InChIKeyUKPJPKNLOXFGPV-UHFFFAOYSA-N
XLogP5.96
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.64
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(3,4-dimethoxyphenyl)methyl 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 9097092
(3-cyanophenyl)methyl 2-(3,4-dimethoxyphenyl)acetate
CID 7766167
2-(1,3-dioxoisoindol-2-yl)ethyl 2-(3,4-dimethoxyphenyl)acetate
CID 3542675
(1,3-dioxoisoindol-2-yl) 2-(3,4-dimethoxyphenyl)acetate
CID 23966444
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2399525
(4-carbamoylphenyl)methyl 2-(2-methoxy-5-methylphenyl)acetate
CID 27205283
(2-methoxyphenyl)methyl 2-(4-methoxyphenyl)acetate
CID 78760060
2-[4-methoxy-3-[2-[[(3-oxo-3-phenylmethoxypropyl)amino]methyl]phenyl]phenyl]acetic acid
CID 68632775
dimethyl (2R,3R)-2,3-bis[(3,4-dimethoxyphenyl)methoxy]butanedioate
CID 171933870
(4-hydroxy-3-methoxyphenyl)methyl 2-aminoacetate
CID 175589732
methyl 2-[[2-[2-(3,4-dimethoxyphenyl)acetyl]oxyacetyl]amino]benzoate
CID 7766660
2-[(3,4-dimethoxyphenyl)methoxy]acetic acid
CID 10727925

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)methyl 2-[2-[2-[2-[(3,4-dimethoxyphenyl)methoxy]-2-oxoethyl]phenyl]phenyl]acetate?
The IUPAC name of (3,4-dimethoxyphenyl)methyl 2-[2-[2-[2-[(3,4-dimethoxyphenyl)methoxy]-2-oxoethyl]phenyl]phenyl]acetate (CID 24764052) is (3,4-dimethoxyphenyl)methyl 2-[2-[2-[2-[(3,4-dimethoxyphenyl)methoxy]-2-oxoethyl]phenyl]phenyl]acetate.
What is the SMILES notation for (3,4-dimethoxyphenyl)methyl 2-[2-[2-[2-[(3,4-dimethoxyphenyl)methoxy]-2-oxoethyl]phenyl]phenyl]acetate?
The canonical SMILES for (3,4-dimethoxyphenyl)methyl 2-[2-[2-[2-[(3,4-dimethoxyphenyl)methoxy]-2-oxoethyl]phenyl]phenyl]acetate is COc1ccc(COC(=O)Cc2ccccc2-c2ccccc2CC(=O)OCc2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)methyl 2-[2-[2-[2-[(3,4-dimethoxyphenyl)methoxy]-2-oxoethyl]phenyl]phenyl]acetate?
The InChIKey is UKPJPKNLOXFGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34O8/c1-37-29-15-13-23(17-31(29)39-3)21-41-33(35)19-25-9-5-7-11-27(25)28-12-8-6-10-26(28)20-34(36)42-22-24-14-16-30(38-2)32(18-24)40-4/h5-18H,19-22H2,1-4H3.
What are the key properties of (3,4-dimethoxyphenyl)methyl 2-[2-[2-[2-[(3,4-dimethoxyphenyl)methoxy]-2-oxoethyl]phenyl]phenyl]acetate?
(3,4-dimethoxyphenyl)methyl 2-[2-[2-[2-[(3,4-dimethoxyphenyl)methoxy]-2-oxoethyl]phenyl]phenyl]acetate has a molecular weight of 570.64 g/mol, XLogP of 5.96, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)methyl 2-[2-[2-[2-[(3,4-dimethoxyphenyl)methoxy]-2-oxoethyl]phenyl]phenyl]acetate is sourced from PubChem (CID 24764052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).