3-(4-methoxyphenyl)propyl 3-(3,4,5-trimethoxyphenyl)propanoate

C22H28O6 — CID 11292180

IUPAC3-(4-methoxyphenyl)propyl 3-(3,4,5-trimethoxyphenyl)propanoate
SMILESCOc1ccc(CCCOC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C22H28O6/c1-24-18-10-7-16(8-11-18)6-5-13-28-21(23)12-9-17-14-19(25-2)22(27-4)20(15-17)26-3/h7-8,10-11,14-15H,5-6,9,12-13H2,1-4H3
InChIKeyKSUMPTMHFIGKTO-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.83
Rot. Bonds11

About 3-(4-methoxyphenyl)propyl 3-(3,4,5-trimethoxyphenyl)propanoate

3-(4-methoxyphenyl)propyl 3-(3,4,5-trimethoxyphenyl)propanoate (PubChem CID 11292180) has the molecular formula C22H28O6 and a molecular weight of 388.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)propyl 3-(3,4,5-trimethoxyphenyl)propanoate.

Molecular Properties

Compound Name3-(4-methoxyphenyl)propyl 3-(3,4,5-trimethoxyphenyl)propanoate
PubChem CID11292180
Molecular FormulaC22H28O6
Molecular Weight388.46 g/mol
Exact Mass388.19
IUPAC Name3-(4-methoxyphenyl)propyl 3-(3,4,5-trimethoxyphenyl)propanoate
SMILESCOc1ccc(CCCOC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C22H28O6/c1-24-18-10-7-16(8-11-18)6-5-13-28-21(23)12-9-17-14-19(25-2)22(27-4)20(15-17)26-3/h7-8,10-11,14-15H,5-6,9,12-13H2,1-4H3
InChIKeyKSUMPTMHFIGKTO-UHFFFAOYSA-N
XLogP3.83
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3,4,5-trimethoxyphenyl)propyl 3-(1,3-benzodioxol-5-yl)propanoate
CID 172914213
propyl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 56929908
2-bromoethyl 3-(4-methoxyphenyl)propanoate
CID 10356699
2-(4-hydroxyphenyl)ethyl 3-(4-methoxyphenyl)propanoate
CID 155323267
3-hydroxypropyl 3-[4-hydroxy-3-[2-hydroxy-5-[3-(3-hydroxypropoxy)-3-oxopropyl]-3-methoxyphenyl]-5-methoxyphenyl]propanoate
CID 162818155
naphthalen-2-yl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 2677389
3-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 7741638
(7-methoxy-2-oxochromen-4-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 4693748
3-(3,4,5-trimethoxyphenyl)propanoyl iodide
CID 152966840
butyl 3-(3,5-difluoro-4-methoxyphenyl)propanoate
CID 66734188
1,2,3-trimethoxy-5-[2-[3-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
CID 171715581
2,2,2-trifluoroacetic acid;3-[3-[4-[3-(3,4,5-trimethoxyphenyl)propoxy]phenyl]propylamino]propanoic acid
CID 23121316

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)propyl 3-(3,4,5-trimethoxyphenyl)propanoate?
The IUPAC name of 3-(4-methoxyphenyl)propyl 3-(3,4,5-trimethoxyphenyl)propanoate (CID 11292180) is 3-(4-methoxyphenyl)propyl 3-(3,4,5-trimethoxyphenyl)propanoate.
What is the SMILES notation for 3-(4-methoxyphenyl)propyl 3-(3,4,5-trimethoxyphenyl)propanoate?
The canonical SMILES for 3-(4-methoxyphenyl)propyl 3-(3,4,5-trimethoxyphenyl)propanoate is COc1ccc(CCCOC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)propyl 3-(3,4,5-trimethoxyphenyl)propanoate?
The InChIKey is KSUMPTMHFIGKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O6/c1-24-18-10-7-16(8-11-18)6-5-13-28-21(23)12-9-17-14-19(25-2)22(27-4)20(15-17)26-3/h7-8,10-11,14-15H,5-6,9,12-13H2,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)propyl 3-(3,4,5-trimethoxyphenyl)propanoate?
3-(4-methoxyphenyl)propyl 3-(3,4,5-trimethoxyphenyl)propanoate has a molecular weight of 388.46 g/mol, XLogP of 3.83, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)propyl 3-(3,4,5-trimethoxyphenyl)propanoate is sourced from PubChem (CID 11292180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).