3-(2-phenylethenyl)-2,6-dipropoxyphenol

C20H24O3 — CID 174666093

IUPAC3-(2-phenylethenyl)-2,6-dipropoxyphenol
SMILESCCCOc1ccc(C=Cc2ccccc2)c(OCCC)c1O
InChIInChI=1S/C20H24O3/c1-3-14-22-18-13-12-17(20(19(18)21)23-15-4-2)11-10-16-8-6-5-7-9-16/h5-13,21H,3-4,14-15H2,1-2H3
InChIKeyFJQIRRGCUNDCNU-UHFFFAOYSA-N
MW312.41 g/mol
LogP5.14
Rot. Bonds8

About 3-(2-phenylethenyl)-2,6-dipropoxyphenol

3-(2-phenylethenyl)-2,6-dipropoxyphenol (PubChem CID 174666093) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-(2-phenylethenyl)-2,6-dipropoxyphenol.

Molecular Properties

Compound Name3-(2-phenylethenyl)-2,6-dipropoxyphenol
PubChem CID174666093
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name3-(2-phenylethenyl)-2,6-dipropoxyphenol
SMILESCCCOc1ccc(C=Cc2ccccc2)c(OCCC)c1O
InChIInChI=1S/C20H24O3/c1-3-14-22-18-13-12-17(20(19(18)21)23-15-4-2)11-10-16-8-6-5-7-9-16/h5-13,21H,3-4,14-15H2,1-2H3
InChIKeyFJQIRRGCUNDCNU-UHFFFAOYSA-N
XLogP5.14
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.41
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxybenzene
CID 101056714
4-[(E)-2-(2,3,4-tributoxyphenyl)ethenyl]pyridine
CID 101367591
1,2,3-trimethoxy-4-(2-phenylethenyl)benzene
CID 53422272
1,2,3-trimethoxy-4-[(E)-2-phenylethenyl]benzene
CID 15696375
2-[2-(2-phenylethenyl)phenoxy]ethanol
CID 70576558
1,2-diethoxy-3-(2-phenylethenyl)benzene
CID 67865300
(2-hydroxy-3,4-dipropoxyphenyl) hydrogen carbonate
CID 69498730
3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-ol
CID 21078223
5,11-bis[(E)-2-phenylethenyl]-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene
CID 50923338
5-[(Z)-2-phenylethenyl]-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
CID 101411586
1-(2-chloroethoxy)-2-[(E)-2-phenylethenyl]benzene
CID 22755686
1-methyl-4-phenyl-3-(2-phenylethenyl)-2-propoxybenzene
CID 69324908

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethenyl)-2,6-dipropoxyphenol?
The IUPAC name of 3-(2-phenylethenyl)-2,6-dipropoxyphenol (CID 174666093) is 3-(2-phenylethenyl)-2,6-dipropoxyphenol.
What is the SMILES notation for 3-(2-phenylethenyl)-2,6-dipropoxyphenol?
The canonical SMILES for 3-(2-phenylethenyl)-2,6-dipropoxyphenol is CCCOc1ccc(C=Cc2ccccc2)c(OCCC)c1O.
What is the InChIKey of 3-(2-phenylethenyl)-2,6-dipropoxyphenol?
The InChIKey is FJQIRRGCUNDCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-3-14-22-18-13-12-17(20(19(18)21)23-15-4-2)11-10-16-8-6-5-7-9-16/h5-13,21H,3-4,14-15H2,1-2H3.
What are the key properties of 3-(2-phenylethenyl)-2,6-dipropoxyphenol?
3-(2-phenylethenyl)-2,6-dipropoxyphenol has a molecular weight of 312.41 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethenyl)-2,6-dipropoxyphenol is sourced from PubChem (CID 174666093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).