2,4-dibromo-1-[3-[3-(2,4-dibromophenyl)prop-2-enoxy]prop-1-enyl]benzene

C18H14Br4O — CID 139610671

IUPAC2,4-dibromo-1-[3-[3-(2,4-dibromophenyl)prop-2-enoxy]prop-1-enyl]benzene
SMILESBrc1ccc(C=CCOCC=Cc2ccc(Br)cc2Br)c(Br)c1
InChIInChI=1S/C18H14Br4O/c19-15-7-5-13(17(21)11-15)3-1-9-23-10-2-4-14-6-8-16(20)12-18(14)22/h1-8,11-12H,9-10H2
InChIKeyXANJVUGUSADPJR-UHFFFAOYSA-N
MW565.93 g/mol
LogP7.48
Rot. Bonds6

About 2,4-dibromo-1-[3-[3-(2,4-dibromophenyl)prop-2-enoxy]prop-1-enyl]benzene

2,4-dibromo-1-[3-[3-(2,4-dibromophenyl)prop-2-enoxy]prop-1-enyl]benzene (PubChem CID 139610671) has the molecular formula C18H14Br4O and a molecular weight of 565.93 g/mol. Its IUPAC name is 2,4-dibromo-1-[3-[3-(2,4-dibromophenyl)prop-2-enoxy]prop-1-enyl]benzene.

Molecular Properties

Compound Name2,4-dibromo-1-[3-[3-(2,4-dibromophenyl)prop-2-enoxy]prop-1-enyl]benzene
PubChem CID139610671
Molecular FormulaC18H14Br4O
Molecular Weight565.93 g/mol
Exact Mass561.78
IUPAC Name2,4-dibromo-1-[3-[3-(2,4-dibromophenyl)prop-2-enoxy]prop-1-enyl]benzene
SMILESBrc1ccc(C=CCOCC=Cc2ccc(Br)cc2Br)c(Br)c1
InChIInChI=1S/C18H14Br4O/c19-15-7-5-13(17(21)11-15)3-1-9-23-10-2-4-14-6-8-16(20)12-18(14)22/h1-8,11-12H,9-10H2
InChIKeyXANJVUGUSADPJR-UHFFFAOYSA-N
XLogP7.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.93
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-dibromo-1-prop-1-enylbenzene
CID 139726331
2-bromo-1-(3-bromoprop-1-enyl)-4-methoxybenzene
CID 169476606
3-(2-bromo-4-fluorophenyl)prop-2-ene-1-thiol
CID 169456209
4-bromo-1-[(Z)-but-1-enyl]-2-fluorobenzene
CID 58961640
5-bromo-2-(3-chloroprop-1-enyl)phenol
CID 169478321
4-bromo-1-(4-bromobut-1-enyl)-2-chlorobenzene
CID 170498473
4-bromo-2-[(E)-3-hydroxyprop-1-enyl]phenol
CID 12641145
3-(2-bromo-4-chlorophenyl)-N-methylprop-2-en-1-amine
CID 169474594
4-(2-bromo-4-methylphenyl)but-3-en-1-amine
CID 170487934
4-(2-bromo-4-methylphenyl)but-3-en-1-ol
CID 170477579
3-(4-bromo-2-ethylphenyl)prop-2-ene-1-thiol
CID 169456247
5-bromo-2-[3-(methylamino)prop-1-enyl]phenol
CID 169474606

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1-[3-[3-(2,4-dibromophenyl)prop-2-enoxy]prop-1-enyl]benzene?
The IUPAC name of 2,4-dibromo-1-[3-[3-(2,4-dibromophenyl)prop-2-enoxy]prop-1-enyl]benzene (CID 139610671) is 2,4-dibromo-1-[3-[3-(2,4-dibromophenyl)prop-2-enoxy]prop-1-enyl]benzene.
What is the SMILES notation for 2,4-dibromo-1-[3-[3-(2,4-dibromophenyl)prop-2-enoxy]prop-1-enyl]benzene?
The canonical SMILES for 2,4-dibromo-1-[3-[3-(2,4-dibromophenyl)prop-2-enoxy]prop-1-enyl]benzene is Brc1ccc(C=CCOCC=Cc2ccc(Br)cc2Br)c(Br)c1.
What is the InChIKey of 2,4-dibromo-1-[3-[3-(2,4-dibromophenyl)prop-2-enoxy]prop-1-enyl]benzene?
The InChIKey is XANJVUGUSADPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Br4O/c19-15-7-5-13(17(21)11-15)3-1-9-23-10-2-4-14-6-8-16(20)12-18(14)22/h1-8,11-12H,9-10H2.
What are the key properties of 2,4-dibromo-1-[3-[3-(2,4-dibromophenyl)prop-2-enoxy]prop-1-enyl]benzene?
2,4-dibromo-1-[3-[3-(2,4-dibromophenyl)prop-2-enoxy]prop-1-enyl]benzene has a molecular weight of 565.93 g/mol, XLogP of 7.48, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1-[3-[3-(2,4-dibromophenyl)prop-2-enoxy]prop-1-enyl]benzene is sourced from PubChem (CID 139610671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).