1-[(E)-1-bromo-3,3-bis(4-methoxyphenyl)prop-1-enyl]-4-ethylbenzene

C25H25BrO2 — CID 102451451

IUPAC1-[(E)-1-bromo-3,3-bis(4-methoxyphenyl)prop-1-enyl]-4-ethylbenzene
SMILESCCc1ccc(/C(Br)=C\C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H25BrO2/c1-4-18-5-7-21(8-6-18)25(26)17-24(19-9-13-22(27-2)14-10-19)20-11-15-23(28-3)16-12-20/h5-17,24H,4H2,1-3H3/b25-17+
InChIKeyUPXFBUYODWWNQV-KOEQRZSOSA-N
MW437.38 g/mol
LogP6.83
Rot. Bonds7

About 1-[(E)-1-bromo-3,3-bis(4-methoxyphenyl)prop-1-enyl]-4-ethylbenzene

1-[(E)-1-bromo-3,3-bis(4-methoxyphenyl)prop-1-enyl]-4-ethylbenzene (PubChem CID 102451451) has the molecular formula C25H25BrO2 and a molecular weight of 437.38 g/mol. Its IUPAC name is 1-[(E)-1-bromo-3,3-bis(4-methoxyphenyl)prop-1-enyl]-4-ethylbenzene.

Molecular Properties

Compound Name1-[(E)-1-bromo-3,3-bis(4-methoxyphenyl)prop-1-enyl]-4-ethylbenzene
PubChem CID102451451
Molecular FormulaC25H25BrO2
Molecular Weight437.38 g/mol
Exact Mass436.10
IUPAC Name1-[(E)-1-bromo-3,3-bis(4-methoxyphenyl)prop-1-enyl]-4-ethylbenzene
SMILESCCc1ccc(/C(Br)=C\C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H25BrO2/c1-4-18-5-7-21(8-6-18)25(26)17-24(19-9-13-22(27-2)14-10-19)20-11-15-23(28-3)16-12-20/h5-17,24H,4H2,1-3H3/b25-17+
InChIKeyUPXFBUYODWWNQV-KOEQRZSOSA-N
XLogP6.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.38
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-bromo-3,3-bis(4-methoxyphenyl)prop-1-enyl]-4-ethylbenzene?
The IUPAC name of 1-[(E)-1-bromo-3,3-bis(4-methoxyphenyl)prop-1-enyl]-4-ethylbenzene (CID 102451451) is 1-[(E)-1-bromo-3,3-bis(4-methoxyphenyl)prop-1-enyl]-4-ethylbenzene.
What is the SMILES notation for 1-[(E)-1-bromo-3,3-bis(4-methoxyphenyl)prop-1-enyl]-4-ethylbenzene?
The canonical SMILES for 1-[(E)-1-bromo-3,3-bis(4-methoxyphenyl)prop-1-enyl]-4-ethylbenzene is CCc1ccc(/C(Br)=C\C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[(E)-1-bromo-3,3-bis(4-methoxyphenyl)prop-1-enyl]-4-ethylbenzene?
The InChIKey is UPXFBUYODWWNQV-KOEQRZSOSA-N. The full InChI is InChI=1S/C25H25BrO2/c1-4-18-5-7-21(8-6-18)25(26)17-24(19-9-13-22(27-2)14-10-19)20-11-15-23(28-3)16-12-20/h5-17,24H,4H2,1-3H3/b25-17+.
What are the key properties of 1-[(E)-1-bromo-3,3-bis(4-methoxyphenyl)prop-1-enyl]-4-ethylbenzene?
1-[(E)-1-bromo-3,3-bis(4-methoxyphenyl)prop-1-enyl]-4-ethylbenzene has a molecular weight of 437.38 g/mol, XLogP of 6.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-bromo-3,3-bis(4-methoxyphenyl)prop-1-enyl]-4-ethylbenzene is sourced from PubChem (CID 102451451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).