ethyl 4-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butanoate

C24H30O7 — CID 155536627

IUPACethyl 4-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butanoate
SMILESC=C(c1ccc(OC)c(OCCCC(=O)OCC)c1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C24H30O7/c1-7-30-23(25)9-8-12-31-20-13-17(10-11-19(20)26-3)16(2)18-14-21(27-4)24(29-6)22(15-18)28-5/h10-11,13-15H,2,7-9,12H2,1,3-6H3
InChIKeyIQASVVJOURHTGV-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.50
Rot. Bonds12

About ethyl 4-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butanoate

ethyl 4-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butanoate (PubChem CID 155536627) has the molecular formula C24H30O7 and a molecular weight of 430.50 g/mol. Its IUPAC name is ethyl 4-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butanoate.

Molecular Properties

Compound Nameethyl 4-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butanoate
PubChem CID155536627
Molecular FormulaC24H30O7
Molecular Weight430.50 g/mol
Exact Mass430.20
IUPAC Nameethyl 4-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butanoate
SMILESC=C(c1ccc(OC)c(OCCCC(=O)OCC)c1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C24H30O7/c1-7-30-23(25)9-8-12-31-20-13-17(10-11-19(20)26-3)16(2)18-14-21(27-4)24(29-6)22(15-18)28-5/h10-11,13-15H,2,7-9,12H2,1,3-6H3
InChIKeyIQASVVJOURHTGV-UHFFFAOYSA-N
XLogP4.50
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butanoate?
The IUPAC name of ethyl 4-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butanoate (CID 155536627) is ethyl 4-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butanoate.
What is the SMILES notation for ethyl 4-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butanoate?
The canonical SMILES for ethyl 4-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butanoate is C=C(c1ccc(OC)c(OCCCC(=O)OCC)c1)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of ethyl 4-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butanoate?
The InChIKey is IQASVVJOURHTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O7/c1-7-30-23(25)9-8-12-31-20-13-17(10-11-19(20)26-3)16(2)18-14-21(27-4)24(29-6)22(15-18)28-5/h10-11,13-15H,2,7-9,12H2,1,3-6H3.
What are the key properties of ethyl 4-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butanoate?
ethyl 4-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butanoate has a molecular weight of 430.50 g/mol, XLogP of 4.50, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butanoate is sourced from PubChem (CID 155536627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).