(2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanone

C16H14Br2O — CID 107944448

IUPAC(2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)c2ccc(Br)cc2Br)cc1
InChIInChI=1S/C16H14Br2O/c1-10(2)11-3-5-12(6-4-11)16(19)14-8-7-13(17)9-15(14)18/h3-10H,1-2H3
InChIKeyDWBOSKZNCMVGOA-UHFFFAOYSA-N
MW382.10 g/mol
LogP5.57
Rot. Bonds3

About (2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanone

(2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanone (PubChem CID 107944448) has the molecular formula C16H14Br2O and a molecular weight of 382.10 g/mol. Its IUPAC name is (2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanone
PubChem CID107944448
Molecular FormulaC16H14Br2O
Molecular Weight382.10 g/mol
Exact Mass379.94
IUPAC Name(2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)c2ccc(Br)cc2Br)cc1
InChIInChI=1S/C16H14Br2O/c1-10(2)11-3-5-12(6-4-11)16(19)14-8-7-13(17)9-15(14)18/h3-10H,1-2H3
InChIKeyDWBOSKZNCMVGOA-UHFFFAOYSA-N
XLogP5.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.10
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-aminophenyl)-(2,4-dibromophenyl)methanone
CID 107957044
[2-bromo-4-(1-bromoethyl)phenyl]-(4-chlorophenyl)methanone
CID 139493893
(5-bromo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methanone
CID 43340394
(2-chloro-4-methylphenyl)-(4-propan-2-ylphenyl)methanone
CID 106860797
(2,4-dimethylphenyl)-(4-propan-2-ylphenyl)methanone
CID 43337891
[2-bromo-4-(dibromomethyl)phenyl]-(4-chlorophenyl)methanone
CID 134514418
(2,4-dichlorophenyl)-(4-propan-2-ylphenyl)methanone
CID 43625036
(2-bromo-4-methoxyphenyl)-(4-bromophenyl)methanone
CID 60786107
(2,4-dibromophenyl)-(4-propoxyphenyl)methanone
CID 107944442
(4-chloro-3-methoxyphenyl)-(2,4-dibromophenyl)methanone
CID 107944607
(2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanone
CID 107944669
(3-bromo-5-fluorophenyl)-(4-propan-2-ylphenyl)methanone
CID 43625107

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanone?
The IUPAC name of (2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanone (CID 107944448) is (2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for (2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for (2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)c2ccc(Br)cc2Br)cc1.
What is the InChIKey of (2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanone?
The InChIKey is DWBOSKZNCMVGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2O/c1-10(2)11-3-5-12(6-4-11)16(19)14-8-7-13(17)9-15(14)18/h3-10H,1-2H3.
What are the key properties of (2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanone?
(2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanone has a molecular weight of 382.10 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 107944448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).