(2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanone

C16H14Br2O2 — CID 107944669

IUPAC(2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1cccc(C(=O)c2ccc(Br)cc2Br)c1
InChIInChI=1S/C16H14Br2O2/c1-10(2)20-13-5-3-4-11(8-13)16(19)14-7-6-12(17)9-15(14)18/h3-10H,1-2H3
InChIKeyRKVUVBFJNAWSMX-UHFFFAOYSA-N
MW398.09 g/mol
LogP5.23
Rot. Bonds4

About (2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanone

(2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanone (PubChem CID 107944669) has the molecular formula C16H14Br2O2 and a molecular weight of 398.09 g/mol. Its IUPAC name is (2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanone
PubChem CID107944669
Molecular FormulaC16H14Br2O2
Molecular Weight398.09 g/mol
Exact Mass395.94
IUPAC Name(2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1cccc(C(=O)c2ccc(Br)cc2Br)c1
InChIInChI=1S/C16H14Br2O2/c1-10(2)20-13-5-3-4-11(8-13)16(19)14-7-6-12(17)9-15(14)18/h3-10H,1-2H3
InChIKeyRKVUVBFJNAWSMX-UHFFFAOYSA-N
XLogP5.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.09
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-amino-4-bromophenyl)-(3-propan-2-yloxyphenyl)methanone
CID 116591865
(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanone
CID 105398308
(3-aminophenyl)-(2,4-dibromophenyl)methanone
CID 141034944
(2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanone
CID 107944448
(4-bromo-1-methylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanone
CID 115815063
(3,4-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanone
CID 63491128
(3-propan-2-yloxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 63492313
5-bromo-2-[(3-propan-2-yloxybenzoyl)carbamothioylamino]benzoic acid
CID 4513373
(5-bromo-4-methylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone
CID 79996537
(5-bromo-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 43339553
(2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 107947698
(5-iodo-2-methoxyphenyl)-(3-propan-2-yloxyphenyl)methanone
CID 63490432

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanone?
The IUPAC name of (2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanone (CID 107944669) is (2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanone is CC(C)Oc1cccc(C(=O)c2ccc(Br)cc2Br)c1.
What is the InChIKey of (2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanone?
The InChIKey is RKVUVBFJNAWSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2O2/c1-10(2)20-13-5-3-4-11(8-13)16(19)14-7-6-12(17)9-15(14)18/h3-10H,1-2H3.
What are the key properties of (2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanone?
(2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanone has a molecular weight of 398.09 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 107944669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).