benzene;1-(4-bromophenyl)ethanone

C14H13BrO — CID 174710467

IUPACbenzene;1-(4-bromophenyl)ethanone
SMILESCC(=O)c1ccc(Br)cc1.c1ccccc1
InChIInChI=1S/C8H7BrO.C6H6/c1-6(10)7-2-4-8(9)5-3-7;1-2-4-6-5-3-1/h2-5H,1H3;1-6H
InChIKeyPORPDCVGAIYCEN-UHFFFAOYSA-N
MW277.16 g/mol
LogP4.34
Rot. Bonds1

About benzene;1-(4-bromophenyl)ethanone

benzene;1-(4-bromophenyl)ethanone (PubChem CID 174710467) has the molecular formula C14H13BrO and a molecular weight of 277.16 g/mol. Its IUPAC name is benzene;1-(4-bromophenyl)ethanone.

Molecular Properties

Compound Namebenzene;1-(4-bromophenyl)ethanone
PubChem CID174710467
Molecular FormulaC14H13BrO
Molecular Weight277.16 g/mol
Exact Mass276.01
IUPAC Namebenzene;1-(4-bromophenyl)ethanone
SMILESCC(=O)c1ccc(Br)cc1.c1ccccc1
InChIInChI=1S/C8H7BrO.C6H6/c1-6(10)7-2-4-8(9)5-3-7;1-2-4-6-5-3-1/h2-5H,1H3;1-6H
InChIKeyPORPDCVGAIYCEN-UHFFFAOYSA-N
XLogP4.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-4-[(E)-3-(4-bromophenyl)but-2-en-2-yl]benzene;1-(4-bromophenyl)ethanone
CID 157172690
1-(4-bromophenyl)ethanone;butane
CID 69403420
1-(4-bromophenyl)ethanone;dimethyl carbonate
CID 163740245
1-[4-(4-bromoanilino)phenyl]ethanone
CID 11543832
1-[4-[2-(4-bromophenyl)ethynyl]phenyl]ethanone
CID 86068214
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
1-(4-acetylphenyl)ethanone;methane
CID 159515104
iron;1-phenylethanone
CID 70488357
4-acetyl(11C)benzoic acid
CID 11205952
lithium 1-phenylethanone
CID 22269591
potassium 1-phenylethanone
CID 19980201
acetic acid;1-phenylethanone
CID 159392478

Frequently Asked Questions

What is the IUPAC name of benzene;1-(4-bromophenyl)ethanone?
The IUPAC name of benzene;1-(4-bromophenyl)ethanone (CID 174710467) is benzene;1-(4-bromophenyl)ethanone.
What is the SMILES notation for benzene;1-(4-bromophenyl)ethanone?
The canonical SMILES for benzene;1-(4-bromophenyl)ethanone is CC(=O)c1ccc(Br)cc1.c1ccccc1.
What is the InChIKey of benzene;1-(4-bromophenyl)ethanone?
The InChIKey is PORPDCVGAIYCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO.C6H6/c1-6(10)7-2-4-8(9)5-3-7;1-2-4-6-5-3-1/h2-5H,1H3;1-6H.
What are the key properties of benzene;1-(4-bromophenyl)ethanone?
benzene;1-(4-bromophenyl)ethanone has a molecular weight of 277.16 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1-(4-bromophenyl)ethanone is sourced from PubChem (CID 174710467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).