1-bromo-4-[2-(4-bromophenyl)-4-methoxycyclopenten-1-yl]benzene

C18H16Br2O — CID 132524683

IUPAC1-bromo-4-[2-(4-bromophenyl)-4-methoxycyclopenten-1-yl]benzene
SMILESCOC1CC(c2ccc(Br)cc2)=C(c2ccc(Br)cc2)C1
InChIInChI=1S/C18H16Br2O/c1-21-16-10-17(12-2-6-14(19)7-3-12)18(11-16)13-4-8-15(20)9-5-13/h2-9,16H,10-11H2,1H3
InChIKeyWGGRRJLIIJMQNN-UHFFFAOYSA-N
MW408.13 g/mol
LogP5.93
Rot. Bonds3

About 1-bromo-4-[2-(4-bromophenyl)-4-methoxycyclopenten-1-yl]benzene

1-bromo-4-[2-(4-bromophenyl)-4-methoxycyclopenten-1-yl]benzene (PubChem CID 132524683) has the molecular formula C18H16Br2O and a molecular weight of 408.13 g/mol. Its IUPAC name is 1-bromo-4-[2-(4-bromophenyl)-4-methoxycyclopenten-1-yl]benzene.

Molecular Properties

Compound Name1-bromo-4-[2-(4-bromophenyl)-4-methoxycyclopenten-1-yl]benzene
PubChem CID132524683
Molecular FormulaC18H16Br2O
Molecular Weight408.13 g/mol
Exact Mass405.96
IUPAC Name1-bromo-4-[2-(4-bromophenyl)-4-methoxycyclopenten-1-yl]benzene
SMILESCOC1CC(c2ccc(Br)cc2)=C(c2ccc(Br)cc2)C1
InChIInChI=1S/C18H16Br2O/c1-21-16-10-17(12-2-6-14(19)7-3-12)18(11-16)13-4-8-15(20)9-5-13/h2-9,16H,10-11H2,1H3
InChIKeyWGGRRJLIIJMQNN-UHFFFAOYSA-N
XLogP5.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.13
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[2-(4-bromophenyl)-4-methoxycyclopenten-1-yl]benzene?
The IUPAC name of 1-bromo-4-[2-(4-bromophenyl)-4-methoxycyclopenten-1-yl]benzene (CID 132524683) is 1-bromo-4-[2-(4-bromophenyl)-4-methoxycyclopenten-1-yl]benzene.
What is the SMILES notation for 1-bromo-4-[2-(4-bromophenyl)-4-methoxycyclopenten-1-yl]benzene?
The canonical SMILES for 1-bromo-4-[2-(4-bromophenyl)-4-methoxycyclopenten-1-yl]benzene is COC1CC(c2ccc(Br)cc2)=C(c2ccc(Br)cc2)C1.
What is the InChIKey of 1-bromo-4-[2-(4-bromophenyl)-4-methoxycyclopenten-1-yl]benzene?
The InChIKey is WGGRRJLIIJMQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Br2O/c1-21-16-10-17(12-2-6-14(19)7-3-12)18(11-16)13-4-8-15(20)9-5-13/h2-9,16H,10-11H2,1H3.
What are the key properties of 1-bromo-4-[2-(4-bromophenyl)-4-methoxycyclopenten-1-yl]benzene?
1-bromo-4-[2-(4-bromophenyl)-4-methoxycyclopenten-1-yl]benzene has a molecular weight of 408.13 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[2-(4-bromophenyl)-4-methoxycyclopenten-1-yl]benzene is sourced from PubChem (CID 132524683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).