1-(but-2-enoxymethyl)-4-(4-ethenylphenyl)benzene

C19H20O — CID 54289463

IUPAC1-(but-2-enoxymethyl)-4-(4-ethenylphenyl)benzene
SMILESC=Cc1ccc(-c2ccc(COCC=CC)cc2)cc1
InChIInChI=1S/C19H20O/c1-3-5-14-20-15-17-8-12-19(13-9-17)18-10-6-16(4-2)7-11-18/h3-13H,2,14-15H2,1H3
InChIKeyRWMCLMHYKWTSLJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP5.09
Rot. Bonds6

About 1-(but-2-enoxymethyl)-4-(4-ethenylphenyl)benzene

1-(but-2-enoxymethyl)-4-(4-ethenylphenyl)benzene (PubChem CID 54289463) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(but-2-enoxymethyl)-4-(4-ethenylphenyl)benzene.

Molecular Properties

Compound Name1-(but-2-enoxymethyl)-4-(4-ethenylphenyl)benzene
PubChem CID54289463
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name1-(but-2-enoxymethyl)-4-(4-ethenylphenyl)benzene
SMILESC=Cc1ccc(-c2ccc(COCC=CC)cc2)cc1
InChIInChI=1S/C19H20O/c1-3-5-14-20-15-17-8-12-19(13-9-17)18-10-6-16(4-2)7-11-18/h3-13H,2,14-15H2,1H3
InChIKeyRWMCLMHYKWTSLJ-UHFFFAOYSA-N
XLogP5.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.37
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-4-[4-(methoxymethyl)phenyl]benzene
CID 22186395
1-[[(E)-pent-2-enoxy]methyl]-4-[4-[4-[(Z)-prop-1-enyl]phenyl]phenyl]benzene
CID 67677589
1-(but-2-enoxymethyl)-4-[4-[2-(4-prop-2-enylcyclohexyl)ethyl]phenyl]benzene
CID 54571851
1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 10550369
(4-ethenylphenyl)methoxymethylsilane
CID 159198884
1-[[(E)-but-2-enoxy]methyl]-4-[2-[4-[2-[4-[(Z)-prop-1-enyl]phenyl]ethyl]cyclohexyl]ethyl]benzene
CID 67677349
1-ethenyl-4-[2-(2-propoxyethoxy)ethoxymethyl]benzene
CID 123157384
2-[4-(but-2-enoxymethyl)phenyl]benzoic acid
CID 76983543
1-butyl-4-[4-(prop-2-enoxymethyl)phenyl]benzene
CID 67893959
1-ethenyl-4-(pentoxymethyl)benzene
CID 12541564
4-[6-[6-[6-[4-(prop-2-enoxymethyl)phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]benzaldehyde
CID 11730579
[(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene
CID 11053131

Frequently Asked Questions

What is the IUPAC name of 1-(but-2-enoxymethyl)-4-(4-ethenylphenyl)benzene?
The IUPAC name of 1-(but-2-enoxymethyl)-4-(4-ethenylphenyl)benzene (CID 54289463) is 1-(but-2-enoxymethyl)-4-(4-ethenylphenyl)benzene.
What is the SMILES notation for 1-(but-2-enoxymethyl)-4-(4-ethenylphenyl)benzene?
The canonical SMILES for 1-(but-2-enoxymethyl)-4-(4-ethenylphenyl)benzene is C=Cc1ccc(-c2ccc(COCC=CC)cc2)cc1.
What is the InChIKey of 1-(but-2-enoxymethyl)-4-(4-ethenylphenyl)benzene?
The InChIKey is RWMCLMHYKWTSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O/c1-3-5-14-20-15-17-8-12-19(13-9-17)18-10-6-16(4-2)7-11-18/h3-13H,2,14-15H2,1H3.
What are the key properties of 1-(but-2-enoxymethyl)-4-(4-ethenylphenyl)benzene?
1-(but-2-enoxymethyl)-4-(4-ethenylphenyl)benzene has a molecular weight of 264.37 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(but-2-enoxymethyl)-4-(4-ethenylphenyl)benzene is sourced from PubChem (CID 54289463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).