1-bromo-2-[3-[2-(2-bromophenyl)prop-2-enoxy]prop-1-en-2-yl]benzene

C18H16Br2O — CID 66684676

IUPAC1-bromo-2-[3-[2-(2-bromophenyl)prop-2-enoxy]prop-1-en-2-yl]benzene
SMILESC=C(COCC(=C)c1ccccc1Br)c1ccccc1Br
InChIInChI=1S/C18H16Br2O/c1-13(15-7-3-5-9-17(15)19)11-21-12-14(2)16-8-4-6-10-18(16)20/h3-10H,1-2,11-12H2
InChIKeyZJUONZSVGXIBOG-UHFFFAOYSA-N
MW408.13 g/mol
LogP5.95
Rot. Bonds6

About 1-bromo-2-[3-[2-(2-bromophenyl)prop-2-enoxy]prop-1-en-2-yl]benzene

1-bromo-2-[3-[2-(2-bromophenyl)prop-2-enoxy]prop-1-en-2-yl]benzene (PubChem CID 66684676) has the molecular formula C18H16Br2O and a molecular weight of 408.13 g/mol. Its IUPAC name is 1-bromo-2-[3-[2-(2-bromophenyl)prop-2-enoxy]prop-1-en-2-yl]benzene.

Molecular Properties

Compound Name1-bromo-2-[3-[2-(2-bromophenyl)prop-2-enoxy]prop-1-en-2-yl]benzene
PubChem CID66684676
Molecular FormulaC18H16Br2O
Molecular Weight408.13 g/mol
Exact Mass405.96
IUPAC Name1-bromo-2-[3-[2-(2-bromophenyl)prop-2-enoxy]prop-1-en-2-yl]benzene
SMILESC=C(COCC(=C)c1ccccc1Br)c1ccccc1Br
InChIInChI=1S/C18H16Br2O/c1-13(15-7-3-5-9-17(15)19)11-21-12-14(2)16-8-4-6-10-18(16)20/h3-10H,1-2,11-12H2
InChIKeyZJUONZSVGXIBOG-UHFFFAOYSA-N
XLogP5.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.13
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 87294952
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2-bromo-1-(2-bromophenyl)ethanone
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CID 103073851
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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[3-[2-(2-bromophenyl)prop-2-enoxy]prop-1-en-2-yl]benzene?
The IUPAC name of 1-bromo-2-[3-[2-(2-bromophenyl)prop-2-enoxy]prop-1-en-2-yl]benzene (CID 66684676) is 1-bromo-2-[3-[2-(2-bromophenyl)prop-2-enoxy]prop-1-en-2-yl]benzene.
What is the SMILES notation for 1-bromo-2-[3-[2-(2-bromophenyl)prop-2-enoxy]prop-1-en-2-yl]benzene?
The canonical SMILES for 1-bromo-2-[3-[2-(2-bromophenyl)prop-2-enoxy]prop-1-en-2-yl]benzene is C=C(COCC(=C)c1ccccc1Br)c1ccccc1Br.
What is the InChIKey of 1-bromo-2-[3-[2-(2-bromophenyl)prop-2-enoxy]prop-1-en-2-yl]benzene?
The InChIKey is ZJUONZSVGXIBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Br2O/c1-13(15-7-3-5-9-17(15)19)11-21-12-14(2)16-8-4-6-10-18(16)20/h3-10H,1-2,11-12H2.
What are the key properties of 1-bromo-2-[3-[2-(2-bromophenyl)prop-2-enoxy]prop-1-en-2-yl]benzene?
1-bromo-2-[3-[2-(2-bromophenyl)prop-2-enoxy]prop-1-en-2-yl]benzene has a molecular weight of 408.13 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[3-[2-(2-bromophenyl)prop-2-enoxy]prop-1-en-2-yl]benzene is sourced from PubChem (CID 66684676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).