1-[[(E)-but-2-enoxy]methyl]-2-[2-[2-[[(E)-but-2-enoxy]methyl]phenoxy]ethoxy]benzene

C24H30O4 — CID 102197349

IUPAC1-[[(E)-but-2-enoxy]methyl]-2-[2-[2-[[(E)-but-2-enoxy]methyl]phenoxy]ethoxy]benzene
SMILESC/C=C/COCc1ccccc1OCCOc1ccccc1COC/C=C/C
InChIInChI=1S/C24H30O4/c1-3-5-15-25-19-21-11-7-9-13-23(21)27-17-18-28-24-14-10-8-12-22(24)20-26-16-6-4-2/h3-14H,15-20H2,1-2H3/b5-3+,6-4+
InChIKeyMJDUXCKLZABBOV-GGWOSOGESA-N
MW382.50 g/mol
LogP5.33
Rot. Bonds13

About 1-[[(E)-but-2-enoxy]methyl]-2-[2-[2-[[(E)-but-2-enoxy]methyl]phenoxy]ethoxy]benzene

1-[[(E)-but-2-enoxy]methyl]-2-[2-[2-[[(E)-but-2-enoxy]methyl]phenoxy]ethoxy]benzene (PubChem CID 102197349) has the molecular formula C24H30O4 and a molecular weight of 382.50 g/mol. Its IUPAC name is 1-[[(E)-but-2-enoxy]methyl]-2-[2-[2-[[(E)-but-2-enoxy]methyl]phenoxy]ethoxy]benzene.

Molecular Properties

Compound Name1-[[(E)-but-2-enoxy]methyl]-2-[2-[2-[[(E)-but-2-enoxy]methyl]phenoxy]ethoxy]benzene
PubChem CID102197349
Molecular FormulaC24H30O4
Molecular Weight382.50 g/mol
Exact Mass382.21
IUPAC Name1-[[(E)-but-2-enoxy]methyl]-2-[2-[2-[[(E)-but-2-enoxy]methyl]phenoxy]ethoxy]benzene
SMILESC/C=C/COCc1ccccc1OCCOc1ccccc1COC/C=C/C
InChIInChI=1S/C24H30O4/c1-3-5-15-25-19-21-11-7-9-13-23(21)27-17-18-28-24-14-10-8-12-22(24)20-26-16-6-4-2/h3-14H,15-20H2,1-2H3/b5-3+,6-4+
InChIKeyMJDUXCKLZABBOV-GGWOSOGESA-N
XLogP5.33
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-[2-[(E)-but-2-enoxy]phenyl]acetic acid
CID 80742416
N-[[2-(but-2-enoxymethyl)phenyl]methyl]propan-2-amine
CID 76943723
1-prop-2-enoxy-2-[(2-prop-2-enoxyphenyl)methoxymethyl]benzene
CID 102306683
N-[2-[2-[[(E)-but-2-enoxy]methyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 115464424
1-(3-methylbut-2-enoxy)-2-[[2-(3-methylbut-2-enoxy)phenyl]methoxymethyl]benzene
CID 23382023
1-[[(E)-but-2-enoxy]methoxy]-2-methylbenzene
CID 101341939
1-[(E)-but-2-enoxy]-2-methylbenzene
CID 60773432
1-bromo-2-[(E)-but-2-enoxy]benzene
CID 13357581
2-[(E)-but-2-enoxy]benzonitrile
CID 15264428
1-benzyl-2-[3-(3-chloroprop-2-enoxy)propoxy]benzene
CID 54452450
1-(chloromethyl)-2-[(E)-4-[2-(chloromethyl)phenoxy]but-2-enoxy]benzene
CID 101421270
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104565556

Frequently Asked Questions

What is the IUPAC name of 1-[[(E)-but-2-enoxy]methyl]-2-[2-[2-[[(E)-but-2-enoxy]methyl]phenoxy]ethoxy]benzene?
The IUPAC name of 1-[[(E)-but-2-enoxy]methyl]-2-[2-[2-[[(E)-but-2-enoxy]methyl]phenoxy]ethoxy]benzene (CID 102197349) is 1-[[(E)-but-2-enoxy]methyl]-2-[2-[2-[[(E)-but-2-enoxy]methyl]phenoxy]ethoxy]benzene.
What is the SMILES notation for 1-[[(E)-but-2-enoxy]methyl]-2-[2-[2-[[(E)-but-2-enoxy]methyl]phenoxy]ethoxy]benzene?
The canonical SMILES for 1-[[(E)-but-2-enoxy]methyl]-2-[2-[2-[[(E)-but-2-enoxy]methyl]phenoxy]ethoxy]benzene is C/C=C/COCc1ccccc1OCCOc1ccccc1COC/C=C/C.
What is the InChIKey of 1-[[(E)-but-2-enoxy]methyl]-2-[2-[2-[[(E)-but-2-enoxy]methyl]phenoxy]ethoxy]benzene?
The InChIKey is MJDUXCKLZABBOV-GGWOSOGESA-N. The full InChI is InChI=1S/C24H30O4/c1-3-5-15-25-19-21-11-7-9-13-23(21)27-17-18-28-24-14-10-8-12-22(24)20-26-16-6-4-2/h3-14H,15-20H2,1-2H3/b5-3+,6-4+.
What are the key properties of 1-[[(E)-but-2-enoxy]methyl]-2-[2-[2-[[(E)-but-2-enoxy]methyl]phenoxy]ethoxy]benzene?
1-[[(E)-but-2-enoxy]methyl]-2-[2-[2-[[(E)-but-2-enoxy]methyl]phenoxy]ethoxy]benzene has a molecular weight of 382.50 g/mol, XLogP of 5.33, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(E)-but-2-enoxy]methyl]-2-[2-[2-[[(E)-but-2-enoxy]methyl]phenoxy]ethoxy]benzene is sourced from PubChem (CID 102197349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).