2,4-dimethoxy-1-[1-(4-prop-2-enoxyphenyl)pentan-3-yl]benzene

C22H28O3 — CID 11559187

IUPAC2,4-dimethoxy-1-[1-(4-prop-2-enoxyphenyl)pentan-3-yl]benzene
SMILESC=CCOc1ccc(CCC(CC)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C22H28O3/c1-5-15-25-19-11-8-17(9-12-19)7-10-18(6-2)21-14-13-20(23-3)16-22(21)24-4/h5,8-9,11-14,16,18H,1,6-7,10,15H2,2-4H3
InChIKeyAMIQEEDNZBUDIQ-UHFFFAOYSA-N
MW340.46 g/mol
LogP5.39
Rot. Bonds10

About 2,4-dimethoxy-1-[1-(4-prop-2-enoxyphenyl)pentan-3-yl]benzene

2,4-dimethoxy-1-[1-(4-prop-2-enoxyphenyl)pentan-3-yl]benzene (PubChem CID 11559187) has the molecular formula C22H28O3 and a molecular weight of 340.46 g/mol. Its IUPAC name is 2,4-dimethoxy-1-[1-(4-prop-2-enoxyphenyl)pentan-3-yl]benzene.

Molecular Properties

Compound Name2,4-dimethoxy-1-[1-(4-prop-2-enoxyphenyl)pentan-3-yl]benzene
PubChem CID11559187
Molecular FormulaC22H28O3
Molecular Weight340.46 g/mol
Exact Mass340.20
IUPAC Name2,4-dimethoxy-1-[1-(4-prop-2-enoxyphenyl)pentan-3-yl]benzene
SMILESC=CCOc1ccc(CCC(CC)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C22H28O3/c1-5-15-25-19-11-8-17(9-12-19)7-10-18(6-2)21-14-13-20(23-3)16-22(21)24-4/h5,8-9,11-14,16,18H,1,6-7,10,15H2,2-4H3
InChIKeyAMIQEEDNZBUDIQ-UHFFFAOYSA-N
XLogP5.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.46
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 91469
Glabridin
CID 124052
Phenoxodiol
CID 219100
Auraptene
CID 1550607
4',7-Dihydroxy-3,4-dihydroisoflavone
CID 382975
Vestitol, (-)-
CID 182259
Medicarpin
CID 336327
Trismethoxyresveratrol
CID 5388063
Precocene I
CID 28619
(+)-Licoricidin
CID 480865
2,3',4,5'-Tetramethoxystilbene
CID 5354004
Phaseollidin
CID 119268

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-1-[1-(4-prop-2-enoxyphenyl)pentan-3-yl]benzene?
The IUPAC name of 2,4-dimethoxy-1-[1-(4-prop-2-enoxyphenyl)pentan-3-yl]benzene (CID 11559187) is 2,4-dimethoxy-1-[1-(4-prop-2-enoxyphenyl)pentan-3-yl]benzene.
What is the SMILES notation for 2,4-dimethoxy-1-[1-(4-prop-2-enoxyphenyl)pentan-3-yl]benzene?
The canonical SMILES for 2,4-dimethoxy-1-[1-(4-prop-2-enoxyphenyl)pentan-3-yl]benzene is C=CCOc1ccc(CCC(CC)c2ccc(OC)cc2OC)cc1.
What is the InChIKey of 2,4-dimethoxy-1-[1-(4-prop-2-enoxyphenyl)pentan-3-yl]benzene?
The InChIKey is AMIQEEDNZBUDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O3/c1-5-15-25-19-11-8-17(9-12-19)7-10-18(6-2)21-14-13-20(23-3)16-22(21)24-4/h5,8-9,11-14,16,18H,1,6-7,10,15H2,2-4H3.
What are the key properties of 2,4-dimethoxy-1-[1-(4-prop-2-enoxyphenyl)pentan-3-yl]benzene?
2,4-dimethoxy-1-[1-(4-prop-2-enoxyphenyl)pentan-3-yl]benzene has a molecular weight of 340.46 g/mol, XLogP of 5.39, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-1-[1-(4-prop-2-enoxyphenyl)pentan-3-yl]benzene is sourced from PubChem (CID 11559187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).