4-[2-[3,5-dimethoxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]phenol

C21H24O3 — CID 78200712

IUPAC4-[2-[3,5-dimethoxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]phenol
SMILESCOc1cc(C=Cc2ccc(O)cc2)cc(OC)c1CC=C(C)C
InChIInChI=1S/C21H24O3/c1-15(2)5-12-19-20(23-3)13-17(14-21(19)24-4)7-6-16-8-10-18(22)11-9-16/h5-11,13-14,22H,12H2,1-4H3
InChIKeyBXJBLAVSDBVABQ-UHFFFAOYSA-N
MW324.42 g/mol
LogP5.09
Rot. Bonds6

About 4-[2-[3,5-dimethoxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]phenol

4-[2-[3,5-dimethoxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]phenol (PubChem CID 78200712) has the molecular formula C21H24O3 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-[2-[3,5-dimethoxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]phenol.

Molecular Properties

Compound Name4-[2-[3,5-dimethoxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]phenol
PubChem CID78200712
Molecular FormulaC21H24O3
Molecular Weight324.42 g/mol
Exact Mass324.17
IUPAC Name4-[2-[3,5-dimethoxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]phenol
SMILESCOc1cc(C=Cc2ccc(O)cc2)cc(OC)c1CC=C(C)C
InChIInChI=1S/C21H24O3/c1-15(2)5-12-19-20(23-3)13-17(14-21(19)24-4)7-6-16-8-10-18(22)11-9-16/h5-11,13-14,22H,12H2,1-4H3
InChIKeyBXJBLAVSDBVABQ-UHFFFAOYSA-N
XLogP5.09
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.42
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-2-(4-amino-3-methoxyphenyl)ethenyl]-5-methoxy-4-(3-methylbut-2-enyl)phenol
CID 156540053
4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyphenol
CID 10377070
4-[2-(3,5-dimethoxy-4-methylphenyl)ethenyl]phenol
CID 152550506
(E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one;hydrate
CID 140692362
5-[(E)-2-(4-methoxyphenyl)ethenyl]-4,6-bis(3-methylbut-2-enyl)benzene-1,3-diol
CID 132603681
3-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-(3-methylbut-2-enoxy)-4-(3-methylbut-2-enyl)phenol
CID 78078052
3-methoxy-5-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-2-(3-methylbut-2-enyl)phenol
CID 121371140
1,3-dimethoxy-2-(3-methylbut-2-enyl)benzene
CID 54284542
4-methoxy-3-(3-methylbut-2-enyl)phenol
CID 101027686
[3-methoxy-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]phenyl] pyridine-2-carboxylate
CID 140661571
5-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
CID 5281724
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 14163455

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3,5-dimethoxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]phenol?
The IUPAC name of 4-[2-[3,5-dimethoxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]phenol (CID 78200712) is 4-[2-[3,5-dimethoxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]phenol.
What is the SMILES notation for 4-[2-[3,5-dimethoxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]phenol?
The canonical SMILES for 4-[2-[3,5-dimethoxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]phenol is COc1cc(C=Cc2ccc(O)cc2)cc(OC)c1CC=C(C)C.
What is the InChIKey of 4-[2-[3,5-dimethoxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]phenol?
The InChIKey is BXJBLAVSDBVABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O3/c1-15(2)5-12-19-20(23-3)13-17(14-21(19)24-4)7-6-16-8-10-18(22)11-9-16/h5-11,13-14,22H,12H2,1-4H3.
What are the key properties of 4-[2-[3,5-dimethoxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]phenol?
4-[2-[3,5-dimethoxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]phenol has a molecular weight of 324.42 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3,5-dimethoxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]phenol is sourced from PubChem (CID 78200712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).