1,3-bis(4-bromophenyl)propan-2-one;1-bromo-4-[3-(4-bromophenyl)propyl]benzene

C30H26Br4O — CID 157299042

IUPAC1,3-bis(4-bromophenyl)propan-2-one;1-bromo-4-[3-(4-bromophenyl)propyl]benzene
SMILESBrc1ccc(CCCc2ccc(Br)cc2)cc1.O=C(Cc1ccc(Br)cc1)Cc1ccc(Br)cc1
InChIInChI=1S/C15H12Br2O.C15H14Br2/c16-13-5-1-11(2-6-13)9-15(18)10-12-3-7-14(17)8-4-12;16-14-8-4-12(5-9-14)2-1-3-13-6-10-15(17)11-7-13/h1-8H,9-10H2;4-11H,1-3H2
InChIKeyBBRHMDBTFPOGHU-UHFFFAOYSA-N
MW722.15 g/mol
LogP9.95
Rot. Bonds8

About 1,3-bis(4-bromophenyl)propan-2-one;1-bromo-4-[3-(4-bromophenyl)propyl]benzene

1,3-bis(4-bromophenyl)propan-2-one;1-bromo-4-[3-(4-bromophenyl)propyl]benzene (PubChem CID 157299042) has the molecular formula C30H26Br4O and a molecular weight of 722.15 g/mol. Its IUPAC name is 1,3-bis(4-bromophenyl)propan-2-one;1-bromo-4-[3-(4-bromophenyl)propyl]benzene.

Molecular Properties

Compound Name1,3-bis(4-bromophenyl)propan-2-one;1-bromo-4-[3-(4-bromophenyl)propyl]benzene
PubChem CID157299042
Molecular FormulaC30H26Br4O
Molecular Weight722.15 g/mol
Exact Mass717.87
IUPAC Name1,3-bis(4-bromophenyl)propan-2-one;1-bromo-4-[3-(4-bromophenyl)propyl]benzene
SMILESBrc1ccc(CCCc2ccc(Br)cc2)cc1.O=C(Cc1ccc(Br)cc1)Cc1ccc(Br)cc1
InChIInChI=1S/C15H12Br2O.C15H14Br2/c16-13-5-1-11(2-6-13)9-15(18)10-12-3-7-14(17)8-4-12;16-14-8-4-12(5-9-14)2-1-3-13-6-10-15(17)11-7-13/h1-8H,9-10H2;4-11H,1-3H2
InChIKeyBBRHMDBTFPOGHU-UHFFFAOYSA-N
XLogP9.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.15
LogP ≤ 59.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 21437969
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CID 65097891

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-bromophenyl)propan-2-one;1-bromo-4-[3-(4-bromophenyl)propyl]benzene?
The IUPAC name of 1,3-bis(4-bromophenyl)propan-2-one;1-bromo-4-[3-(4-bromophenyl)propyl]benzene (CID 157299042) is 1,3-bis(4-bromophenyl)propan-2-one;1-bromo-4-[3-(4-bromophenyl)propyl]benzene.
What is the SMILES notation for 1,3-bis(4-bromophenyl)propan-2-one;1-bromo-4-[3-(4-bromophenyl)propyl]benzene?
The canonical SMILES for 1,3-bis(4-bromophenyl)propan-2-one;1-bromo-4-[3-(4-bromophenyl)propyl]benzene is Brc1ccc(CCCc2ccc(Br)cc2)cc1.O=C(Cc1ccc(Br)cc1)Cc1ccc(Br)cc1.
What is the InChIKey of 1,3-bis(4-bromophenyl)propan-2-one;1-bromo-4-[3-(4-bromophenyl)propyl]benzene?
The InChIKey is BBRHMDBTFPOGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2O.C15H14Br2/c16-13-5-1-11(2-6-13)9-15(18)10-12-3-7-14(17)8-4-12;16-14-8-4-12(5-9-14)2-1-3-13-6-10-15(17)11-7-13/h1-8H,9-10H2;4-11H,1-3H2.
What are the key properties of 1,3-bis(4-bromophenyl)propan-2-one;1-bromo-4-[3-(4-bromophenyl)propyl]benzene?
1,3-bis(4-bromophenyl)propan-2-one;1-bromo-4-[3-(4-bromophenyl)propyl]benzene has a molecular weight of 722.15 g/mol, XLogP of 9.95, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-bromophenyl)propan-2-one;1-bromo-4-[3-(4-bromophenyl)propyl]benzene is sourced from PubChem (CID 157299042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).