1-bromo-4-[3-[3-(4-bromophenyl)-3-cyclopropylprop-2-enoxy]-1-cyclopropylprop-1-enyl]benzene

C24H24Br2O — CID 141494088

IUPAC1-bromo-4-[3-[3-(4-bromophenyl)-3-cyclopropylprop-2-enoxy]-1-cyclopropylprop-1-enyl]benzene
SMILESBrc1ccc(C(=CCOCC=C(c2ccc(Br)cc2)C2CC2)C2CC2)cc1
InChIInChI=1S/C24H24Br2O/c25-21-9-5-19(6-10-21)23(17-1-2-17)13-15-27-16-14-24(18-3-4-18)20-7-11-22(26)12-8-20/h5-14,17-18H,1-4,15-16H2
InChIKeyKORJTCLWWXQXLK-UHFFFAOYSA-N
MW488.26 g/mol
LogP7.52
Rot. Bonds8

About 1-bromo-4-[3-[3-(4-bromophenyl)-3-cyclopropylprop-2-enoxy]-1-cyclopropylprop-1-enyl]benzene

1-bromo-4-[3-[3-(4-bromophenyl)-3-cyclopropylprop-2-enoxy]-1-cyclopropylprop-1-enyl]benzene (PubChem CID 141494088) has the molecular formula C24H24Br2O and a molecular weight of 488.26 g/mol. Its IUPAC name is 1-bromo-4-[3-[3-(4-bromophenyl)-3-cyclopropylprop-2-enoxy]-1-cyclopropylprop-1-enyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[3-[3-(4-bromophenyl)-3-cyclopropylprop-2-enoxy]-1-cyclopropylprop-1-enyl]benzene
PubChem CID141494088
Molecular FormulaC24H24Br2O
Molecular Weight488.26 g/mol
Exact Mass486.02
IUPAC Name1-bromo-4-[3-[3-(4-bromophenyl)-3-cyclopropylprop-2-enoxy]-1-cyclopropylprop-1-enyl]benzene
SMILESBrc1ccc(C(=CCOCC=C(c2ccc(Br)cc2)C2CC2)C2CC2)cc1
InChIInChI=1S/C24H24Br2O/c25-21-9-5-19(6-10-21)23(17-1-2-17)13-15-27-16-14-24(18-3-4-18)20-7-11-22(26)12-8-20/h5-14,17-18H,1-4,15-16H2
InChIKeyKORJTCLWWXQXLK-UHFFFAOYSA-N
XLogP7.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.26
LogP ≤ 57.52
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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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[3-[3-(4-bromophenyl)-3-cyclopropylprop-2-enoxy]-1-cyclopropylprop-1-enyl]benzene?
The IUPAC name of 1-bromo-4-[3-[3-(4-bromophenyl)-3-cyclopropylprop-2-enoxy]-1-cyclopropylprop-1-enyl]benzene (CID 141494088) is 1-bromo-4-[3-[3-(4-bromophenyl)-3-cyclopropylprop-2-enoxy]-1-cyclopropylprop-1-enyl]benzene.
What is the SMILES notation for 1-bromo-4-[3-[3-(4-bromophenyl)-3-cyclopropylprop-2-enoxy]-1-cyclopropylprop-1-enyl]benzene?
The canonical SMILES for 1-bromo-4-[3-[3-(4-bromophenyl)-3-cyclopropylprop-2-enoxy]-1-cyclopropylprop-1-enyl]benzene is Brc1ccc(C(=CCOCC=C(c2ccc(Br)cc2)C2CC2)C2CC2)cc1.
What is the InChIKey of 1-bromo-4-[3-[3-(4-bromophenyl)-3-cyclopropylprop-2-enoxy]-1-cyclopropylprop-1-enyl]benzene?
The InChIKey is KORJTCLWWXQXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Br2O/c25-21-9-5-19(6-10-21)23(17-1-2-17)13-15-27-16-14-24(18-3-4-18)20-7-11-22(26)12-8-20/h5-14,17-18H,1-4,15-16H2.
What are the key properties of 1-bromo-4-[3-[3-(4-bromophenyl)-3-cyclopropylprop-2-enoxy]-1-cyclopropylprop-1-enyl]benzene?
1-bromo-4-[3-[3-(4-bromophenyl)-3-cyclopropylprop-2-enoxy]-1-cyclopropylprop-1-enyl]benzene has a molecular weight of 488.26 g/mol, XLogP of 7.52, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[3-[3-(4-bromophenyl)-3-cyclopropylprop-2-enoxy]-1-cyclopropylprop-1-enyl]benzene is sourced from PubChem (CID 141494088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).