methyl 3,3-bis(3,4-dimethoxyphenyl)propanoate

C20H24O6 — CID 1252604

IUPACmethyl 3,3-bis(3,4-dimethoxyphenyl)propanoate
SMILESCOC(=O)CC(c1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H24O6/c1-22-16-8-6-13(10-18(16)24-3)15(12-20(21)26-5)14-7-9-17(23-2)19(11-14)25-4/h6-11,15H,12H2,1-5H3
InChIKeyBPEFLUWWKPXOGT-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.42
Rot. Bonds8

About methyl 3,3-bis(3,4-dimethoxyphenyl)propanoate

methyl 3,3-bis(3,4-dimethoxyphenyl)propanoate (PubChem CID 1252604) has the molecular formula C20H24O6 and a molecular weight of 360.41 g/mol. Its IUPAC name is methyl 3,3-bis(3,4-dimethoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3,3-bis(3,4-dimethoxyphenyl)propanoate
PubChem CID1252604
Molecular FormulaC20H24O6
Molecular Weight360.41 g/mol
Exact Mass360.16
IUPAC Namemethyl 3,3-bis(3,4-dimethoxyphenyl)propanoate
SMILESCOC(=O)CC(c1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H24O6/c1-22-16-8-6-13(10-18(16)24-3)15(12-20(21)26-5)14-7-9-17(23-2)19(11-14)25-4/h6-11,15H,12H2,1-5H3
InChIKeyBPEFLUWWKPXOGT-UHFFFAOYSA-N
XLogP3.42
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3,3-bis(3,4-dimethoxyphenyl)propanoate?
The IUPAC name of methyl 3,3-bis(3,4-dimethoxyphenyl)propanoate (CID 1252604) is methyl 3,3-bis(3,4-dimethoxyphenyl)propanoate.
What is the SMILES notation for methyl 3,3-bis(3,4-dimethoxyphenyl)propanoate?
The canonical SMILES for methyl 3,3-bis(3,4-dimethoxyphenyl)propanoate is COC(=O)CC(c1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1.
What is the InChIKey of methyl 3,3-bis(3,4-dimethoxyphenyl)propanoate?
The InChIKey is BPEFLUWWKPXOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O6/c1-22-16-8-6-13(10-18(16)24-3)15(12-20(21)26-5)14-7-9-17(23-2)19(11-14)25-4/h6-11,15H,12H2,1-5H3.
What are the key properties of methyl 3,3-bis(3,4-dimethoxyphenyl)propanoate?
methyl 3,3-bis(3,4-dimethoxyphenyl)propanoate has a molecular weight of 360.41 g/mol, XLogP of 3.42, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,3-bis(3,4-dimethoxyphenyl)propanoate is sourced from PubChem (CID 1252604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).