1-[4-[3-(4-bromophenyl)propyl]phenyl]propan-1-one

C18H19BrO — CID 4244816

IUPAC1-[4-[3-(4-bromophenyl)propyl]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(CCCc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H19BrO/c1-2-18(20)16-10-6-14(7-11-16)4-3-5-15-8-12-17(19)13-9-15/h6-13H,2-5H2,1H3
InChIKeyDYRWUQNEQZQJGA-UHFFFAOYSA-N
MW331.25 g/mol
LogP5.22
Rot. Bonds6

About 1-[4-[3-(4-bromophenyl)propyl]phenyl]propan-1-one

1-[4-[3-(4-bromophenyl)propyl]phenyl]propan-1-one (PubChem CID 4244816) has the molecular formula C18H19BrO and a molecular weight of 331.25 g/mol. Its IUPAC name is 1-[4-[3-(4-bromophenyl)propyl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[3-(4-bromophenyl)propyl]phenyl]propan-1-one
PubChem CID4244816
Molecular FormulaC18H19BrO
Molecular Weight331.25 g/mol
Exact Mass330.06
IUPAC Name1-[4-[3-(4-bromophenyl)propyl]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(CCCc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H19BrO/c1-2-18(20)16-10-6-14(7-11-16)4-3-5-15-8-12-17(19)13-9-15/h6-13H,2-5H2,1H3
InChIKeyDYRWUQNEQZQJGA-UHFFFAOYSA-N
XLogP5.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.25
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[3-(4-propanoylphenyl)propyl]phenyl]propan-1-one
CID 134887749
1-[4-(4-propylphenyl)phenyl]propan-1-one
CID 63424296
1,3-bis(4-bromophenyl)propan-2-one;1-bromo-4-[3-(4-bromophenyl)propyl]benzene
CID 157299042
1-(4-butylphenyl)-2-hydroxyethanone
CID 95436919
2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone
CID 58311916
2-bromo-1-(4-octylphenyl)ethanone
CID 11301375
4-(4-bromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)butanoic acid
CID 50940550
potassium 1-(4-ethylphenyl)propan-1-one
CID 153337070
1-[4-(1-bromoethyl)phenyl]propan-1-one
CID 174776199
1-(4-butylphenyl)-2-sulfanylethanone
CID 94681416
1-bromo-4-dodecylbenzene
CID 15120506
1-bromo-4-hexadecylbenzene
CID 598602

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-bromophenyl)propyl]phenyl]propan-1-one?
The IUPAC name of 1-[4-[3-(4-bromophenyl)propyl]phenyl]propan-1-one (CID 4244816) is 1-[4-[3-(4-bromophenyl)propyl]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[3-(4-bromophenyl)propyl]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[3-(4-bromophenyl)propyl]phenyl]propan-1-one is CCC(=O)c1ccc(CCCc2ccc(Br)cc2)cc1.
What is the InChIKey of 1-[4-[3-(4-bromophenyl)propyl]phenyl]propan-1-one?
The InChIKey is DYRWUQNEQZQJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO/c1-2-18(20)16-10-6-14(7-11-16)4-3-5-15-8-12-17(19)13-9-15/h6-13H,2-5H2,1H3.
What are the key properties of 1-[4-[3-(4-bromophenyl)propyl]phenyl]propan-1-one?
1-[4-[3-(4-bromophenyl)propyl]phenyl]propan-1-one has a molecular weight of 331.25 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-bromophenyl)propyl]phenyl]propan-1-one is sourced from PubChem (CID 4244816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).