2-(4-bromophenyl)-1-phenylethanone

C14H11BrO — CID 13459098

IUPAC2-(4-bromophenyl)-1-phenylethanone
SMILESO=C(Cc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C14H11BrO/c15-13-8-6-11(7-9-13)10-14(16)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyGPTAKAWFMITEOL-UHFFFAOYSA-N
MW275.15 g/mol
LogP3.87
Rot. Bonds3

About 2-(4-bromophenyl)-1-phenylethanone

2-(4-bromophenyl)-1-phenylethanone (PubChem CID 13459098) has the molecular formula C14H11BrO and a molecular weight of 275.15 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-phenylethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-phenylethanone
PubChem CID13459098
Molecular FormulaC14H11BrO
Molecular Weight275.15 g/mol
Exact Mass274.00
IUPAC Name2-(4-bromophenyl)-1-phenylethanone
SMILESO=C(Cc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C14H11BrO/c15-13-8-6-11(7-9-13)10-14(16)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyGPTAKAWFMITEOL-UHFFFAOYSA-N
XLogP3.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-phenylethanone?
The IUPAC name of 2-(4-bromophenyl)-1-phenylethanone (CID 13459098) is 2-(4-bromophenyl)-1-phenylethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-phenylethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-phenylethanone is O=C(Cc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 2-(4-bromophenyl)-1-phenylethanone?
The InChIKey is GPTAKAWFMITEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO/c15-13-8-6-11(7-9-13)10-14(16)12-4-2-1-3-5-12/h1-9H,10H2.
What are the key properties of 2-(4-bromophenyl)-1-phenylethanone?
2-(4-bromophenyl)-1-phenylethanone has a molecular weight of 275.15 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-phenylethanone is sourced from PubChem (CID 13459098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).