2-(3-bromophenoxy)-1-(4-methylphenyl)propan-1-one

C16H15BrO2 — CID 60625693

IUPAC2-(3-bromophenoxy)-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)Oc2cccc(Br)c2)cc1
InChIInChI=1S/C16H15BrO2/c1-11-6-8-13(9-7-11)16(18)12(2)19-15-5-3-4-14(17)10-15/h3-10,12H,1-2H3
InChIKeyIUPAUPVBGHRLPD-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.41
Rot. Bonds4

About 2-(3-bromophenoxy)-1-(4-methylphenyl)propan-1-one

2-(3-bromophenoxy)-1-(4-methylphenyl)propan-1-one (PubChem CID 60625693) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-(3-bromophenoxy)-1-(4-methylphenyl)propan-1-one
PubChem CID60625693
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name2-(3-bromophenoxy)-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)Oc2cccc(Br)c2)cc1
InChIInChI=1S/C16H15BrO2/c1-11-6-8-13(9-7-11)16(18)12(2)19-15-5-3-4-14(17)10-15/h3-10,12H,1-2H3
InChIKeyIUPAUPVBGHRLPD-UHFFFAOYSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-bromophenoxy)-1-(4-chlorophenyl)propan-1-one
CID 95356280
2-(3-aminophenoxy)-1-(4-methylphenyl)propan-1-one
CID 46307478
N-[1-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 55347885
2-(3-bromophenoxy)-N,N-dimethylpropanamide
CID 43085551
2-(2-bromo-4-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one
CID 104708077
N'-[(2R)-2-(3-bromophenoxy)propanoyl]-2,4-dimethylbenzohydrazide
CID 25485792
2-(3-bromophenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide
CID 19219436
(2R)-N-(3-bromophenyl)-2-(4-methylphenoxy)propanamide
CID 26157123
4-bromo-N-[3-[(2S)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide
CID 1218528
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-methylphenyl)propan-1-one
CID 43411837
(2R)-2-(2-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one
CID 898478
2-(3-bromophenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylpropanamide
CID 19219434

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 2-(3-bromophenoxy)-1-(4-methylphenyl)propan-1-one (CID 60625693) is 2-(3-bromophenoxy)-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 2-(3-bromophenoxy)-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 2-(3-bromophenoxy)-1-(4-methylphenyl)propan-1-one is Cc1ccc(C(=O)C(C)Oc2cccc(Br)c2)cc1.
What is the InChIKey of 2-(3-bromophenoxy)-1-(4-methylphenyl)propan-1-one?
The InChIKey is IUPAUPVBGHRLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2/c1-11-6-8-13(9-7-11)16(18)12(2)19-15-5-3-4-14(17)10-15/h3-10,12H,1-2H3.
What are the key properties of 2-(3-bromophenoxy)-1-(4-methylphenyl)propan-1-one?
2-(3-bromophenoxy)-1-(4-methylphenyl)propan-1-one has a molecular weight of 319.20 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 60625693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).