1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene

C18H20O2 — CID 10912530

IUPAC1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
SMILESC=CCC(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C18H20O2/c1-4-5-18(14-6-10-16(19-2)11-7-14)15-8-12-17(20-3)13-9-15/h4,6-13,18H,1,5H2,2-3H3
InChIKeyQWNVUNBYFOEQHZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.41
Rot. Bonds6

About 1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene

1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene (PubChem CID 10912530) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
PubChem CID10912530
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
SMILESC=CCC(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C18H20O2/c1-4-5-18(14-6-10-16(19-2)11-7-14)15-8-12-17(20-3)13-9-15/h4,6-13,18H,1,5H2,2-3H3
InChIKeyQWNVUNBYFOEQHZ-UHFFFAOYSA-N
XLogP4.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 11255568
[4-[1-(4-methoxyphenyl)but-3-enyl]phenyl] 2,2-dimethylpropanoate
CID 12965724
2,6-ditert-butyl-4-[1-(4-methoxyphenyl)but-3-enyl]phenol
CID 132573747
(2R)-2-(4-methoxyphenyl)pent-4-enoic acid
CID 124577541
ethane;1-hex-5-en-3-yl-4-methoxybenzene
CID 142172169
4,4-bis(4-methoxyphenyl)but-1-en-1-ol
CID 174788315
1-[1-(4-methoxyphenyl)but-3-enyl]-2-phenylhydrazine
CID 11471172
5-methoxy-2-(1-phenylbut-3-enyl)phenol
CID 53381202
3-(4-methoxyphenyl)hex-5-en-1-ynyl-trimethylsilane
CID 24769802
[(1R)-1-(4-methoxyphenyl)but-3-enyl] acetate
CID 10955082
4-[1-(4-aminophenyl)but-3-enyl]aniline
CID 67940159
4-bromo-N-[1-(4-methoxyphenyl)but-3-enyl]aniline
CID 139240301

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene?
The IUPAC name of 1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene (CID 10912530) is 1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene.
What is the SMILES notation for 1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene?
The canonical SMILES for 1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene is C=CCC(c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene?
The InChIKey is QWNVUNBYFOEQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-4-5-18(14-6-10-16(19-2)11-7-14)15-8-12-17(20-3)13-9-15/h4,6-13,18H,1,5H2,2-3H3.
What are the key properties of 1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene?
1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene has a molecular weight of 268.36 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene is sourced from PubChem (CID 10912530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).