2-methoxy-4-[2-[3-(3-methylbut-2-enoxy)-5-propoxyphenyl]ethenyl]phenol

C23H28O4 — CID 156539988

IUPAC2-methoxy-4-[2-[3-(3-methylbut-2-enoxy)-5-propoxyphenyl]ethenyl]phenol
SMILESCCCOc1cc(C=Cc2ccc(O)c(OC)c2)cc(OCC=C(C)C)c1
InChIInChI=1S/C23H28O4/c1-5-11-26-20-13-19(14-21(16-20)27-12-10-17(2)3)7-6-18-8-9-22(24)23(15-18)25-4/h6-10,13-16,24H,5,11-12H2,1-4H3
InChIKeyINTQTQUDAJKABT-UHFFFAOYSA-N
MW368.47 g/mol
LogP5.70
Rot. Bonds9

About 2-methoxy-4-[2-[3-(3-methylbut-2-enoxy)-5-propoxyphenyl]ethenyl]phenol

2-methoxy-4-[2-[3-(3-methylbut-2-enoxy)-5-propoxyphenyl]ethenyl]phenol (PubChem CID 156539988) has the molecular formula C23H28O4 and a molecular weight of 368.47 g/mol. Its IUPAC name is 2-methoxy-4-[2-[3-(3-methylbut-2-enoxy)-5-propoxyphenyl]ethenyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[2-[3-(3-methylbut-2-enoxy)-5-propoxyphenyl]ethenyl]phenol
PubChem CID156539988
Molecular FormulaC23H28O4
Molecular Weight368.47 g/mol
Exact Mass368.20
IUPAC Name2-methoxy-4-[2-[3-(3-methylbut-2-enoxy)-5-propoxyphenyl]ethenyl]phenol
SMILESCCCOc1cc(C=Cc2ccc(O)c(OC)c2)cc(OCC=C(C)C)c1
InChIInChI=1S/C23H28O4/c1-5-11-26-20-13-19(14-21(16-20)27-12-10-17(2)3)7-6-18-8-9-22(24)23(15-18)25-4/h6-10,13-16,24H,5,11-12H2,1-4H3
InChIKeyINTQTQUDAJKABT-UHFFFAOYSA-N
XLogP5.70
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.47
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-4-[2-[3-methoxy-5-(3-methylbut-2-enoxy)phenyl]ethenyl]phenol
CID 166173179
3-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-(3-methylbut-2-enoxy)-4-(3-methylbut-2-enyl)phenol
CID 78078052
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyphenol
CID 11406193
3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-propoxyphenol
CID 57478513
(E)-1-(4-hydroxy-3-methoxyphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one
CID 9448589
4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyphenol
CID 10377070
3-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol
CID 163079433
4-butoxy-2-methoxyphenol
CID 53249740
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-diol
CID 11793638
5-[2-(4-propoxyphenyl)ethenyl]benzene-1,3-diol
CID 67436297
2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]ethyl-trimethylazanium
CID 54470093
2-[[4-[(E)-2-[3-methoxy-5-(3-methylbut-2-enoxy)phenyl]ethenyl]-2-methylsulfanylphenoxy]methoxy]ethyl-trimethylsilane
CID 166173145

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[2-[3-(3-methylbut-2-enoxy)-5-propoxyphenyl]ethenyl]phenol?
The IUPAC name of 2-methoxy-4-[2-[3-(3-methylbut-2-enoxy)-5-propoxyphenyl]ethenyl]phenol (CID 156539988) is 2-methoxy-4-[2-[3-(3-methylbut-2-enoxy)-5-propoxyphenyl]ethenyl]phenol.
What is the SMILES notation for 2-methoxy-4-[2-[3-(3-methylbut-2-enoxy)-5-propoxyphenyl]ethenyl]phenol?
The canonical SMILES for 2-methoxy-4-[2-[3-(3-methylbut-2-enoxy)-5-propoxyphenyl]ethenyl]phenol is CCCOc1cc(C=Cc2ccc(O)c(OC)c2)cc(OCC=C(C)C)c1.
What is the InChIKey of 2-methoxy-4-[2-[3-(3-methylbut-2-enoxy)-5-propoxyphenyl]ethenyl]phenol?
The InChIKey is INTQTQUDAJKABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O4/c1-5-11-26-20-13-19(14-21(16-20)27-12-10-17(2)3)7-6-18-8-9-22(24)23(15-18)25-4/h6-10,13-16,24H,5,11-12H2,1-4H3.
What are the key properties of 2-methoxy-4-[2-[3-(3-methylbut-2-enoxy)-5-propoxyphenyl]ethenyl]phenol?
2-methoxy-4-[2-[3-(3-methylbut-2-enoxy)-5-propoxyphenyl]ethenyl]phenol has a molecular weight of 368.47 g/mol, XLogP of 5.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[2-[3-(3-methylbut-2-enoxy)-5-propoxyphenyl]ethenyl]phenol is sourced from PubChem (CID 156539988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).