1-(4-bromophenyl)-2-phenylethanone

C14H11BrO — CID 519738

IUPAC1-(4-bromophenyl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrO/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyMOSIKPSTRPODHQ-UHFFFAOYSA-N
MW275.15 g/mol
LogP3.87
Rot. Bonds3

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

1-(4-bromophenyl)-2-phenylethanone (PubChem CID 519738) has the molecular formula C14H11BrO and a molecular weight of 275.15 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-phenylethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-phenylethanone
PubChem CID519738
Molecular FormulaC14H11BrO
Molecular Weight275.15 g/mol
Exact Mass274.00
IUPAC Name1-(4-bromophenyl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrO/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyMOSIKPSTRPODHQ-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 1-(4-bromophenyl)-2-phenylethanone?
The IUPAC name of 1-(4-bromophenyl)-2-phenylethanone (CID 519738) is 1-(4-bromophenyl)-2-phenylethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-phenylethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-phenylethanone is O=C(Cc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-phenylethanone?
The InChIKey is MOSIKPSTRPODHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 1-(4-bromophenyl)-2-phenylethanone?
1-(4-bromophenyl)-2-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 1-(4-bromophenyl)-2-phenylethanone is sourced from PubChem (CID 519738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).