2-(4-bromophenyl)-1-(2-methylnaphthalen-1-yl)ethanone

C19H15BrO — CID 81430854

IUPAC2-(4-bromophenyl)-1-(2-methylnaphthalen-1-yl)ethanone
SMILESCc1ccc2ccccc2c1C(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C19H15BrO/c1-13-6-9-15-4-2-3-5-17(15)19(13)18(21)12-14-7-10-16(20)11-8-14/h2-11H,12H2,1H3
InChIKeyBQRKXCWIFKTLGO-UHFFFAOYSA-N
MW339.23 g/mol
LogP5.34
Rot. Bonds3

About 2-(4-bromophenyl)-1-(2-methylnaphthalen-1-yl)ethanone

2-(4-bromophenyl)-1-(2-methylnaphthalen-1-yl)ethanone (PubChem CID 81430854) has the molecular formula C19H15BrO and a molecular weight of 339.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(2-methylnaphthalen-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(2-methylnaphthalen-1-yl)ethanone
PubChem CID81430854
Molecular FormulaC19H15BrO
Molecular Weight339.23 g/mol
Exact Mass338.03
IUPAC Name2-(4-bromophenyl)-1-(2-methylnaphthalen-1-yl)ethanone
SMILESCc1ccc2ccccc2c1C(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C19H15BrO/c1-13-6-9-15-4-2-3-5-17(15)19(13)18(21)12-14-7-10-16(20)11-8-14/h2-11H,12H2,1H3
InChIKeyBQRKXCWIFKTLGO-UHFFFAOYSA-N
XLogP5.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.23
LogP ≤ 55.34
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-(2-methylnaphthalen-1-yl)ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-(2-methylnaphthalen-1-yl)ethanone (CID 81430854) is 2-(4-bromophenyl)-1-(2-methylnaphthalen-1-yl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-(2-methylnaphthalen-1-yl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-(2-methylnaphthalen-1-yl)ethanone is Cc1ccc2ccccc2c1C(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-(2-methylnaphthalen-1-yl)ethanone?
The InChIKey is BQRKXCWIFKTLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrO/c1-13-6-9-15-4-2-3-5-17(15)19(13)18(21)12-14-7-10-16(20)11-8-14/h2-11H,12H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-(2-methylnaphthalen-1-yl)ethanone?
2-(4-bromophenyl)-1-(2-methylnaphthalen-1-yl)ethanone has a molecular weight of 339.23 g/mol, XLogP of 5.34, 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-(2-methylnaphthalen-1-yl)ethanone is sourced from PubChem (CID 81430854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).