4-(2-bromophenyl)-1-morpholin-4-ylbutan-1-one

C14H18BrNO2 — CID 166222857

IUPAC4-(2-bromophenyl)-1-morpholin-4-ylbutan-1-one
SMILESO=C(CCCc1ccccc1Br)N1CCOCC1
InChIInChI=1S/C14H18BrNO2/c15-13-6-2-1-4-12(13)5-3-7-14(17)16-8-10-18-11-9-16/h1-2,4,6H,3,5,7-11H2
InChIKeyYDDQXRANBARGRO-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.63
Rot. Bonds4

About 4-(2-bromophenyl)-1-morpholin-4-ylbutan-1-one

4-(2-bromophenyl)-1-morpholin-4-ylbutan-1-one (PubChem CID 166222857) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 4-(2-bromophenyl)-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name4-(2-bromophenyl)-1-morpholin-4-ylbutan-1-one
PubChem CID166222857
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name4-(2-bromophenyl)-1-morpholin-4-ylbutan-1-one
SMILESO=C(CCCc1ccccc1Br)N1CCOCC1
InChIInChI=1S/C14H18BrNO2/c15-13-6-2-1-4-12(13)5-3-7-14(17)16-8-10-18-11-9-16/h1-2,4,6H,3,5,7-11H2
InChIKeyYDDQXRANBARGRO-UHFFFAOYSA-N
XLogP2.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one
CID 645040
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
3-(2-bromophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
CID 71940123
2-(2-bromophenoxy)-1-morpholin-4-ylethanone
CID 725441
3-(2-bromophenyl)-1-(1,4-diazepan-1-yl)propan-1-one;hydrochloride
CID 119417749
3-(2-bromophenyl)-1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 112838759
1-(4-amino-2,2-dimethylpyrrolidin-1-yl)-4-(2-bromophenyl)butan-1-one
CID 115275754
4-(2-chlorophenyl)-1-piperazin-1-ylbutan-1-one
CID 83924216
2-(6-morpholin-4-yl-6-oxohexyl)isoindole-1,3-dione
CID 3620620
1-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55471047
2-(2-chlorophenyl)-1-(1,4-oxazepan-4-yl)ethanone
CID 134160663
2-(4-morpholin-4-yl-4-oxobutoxy)benzoic acid
CID 43214310

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 4-(2-bromophenyl)-1-morpholin-4-ylbutan-1-one (CID 166222857) is 4-(2-bromophenyl)-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 4-(2-bromophenyl)-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 4-(2-bromophenyl)-1-morpholin-4-ylbutan-1-one is O=C(CCCc1ccccc1Br)N1CCOCC1.
What is the InChIKey of 4-(2-bromophenyl)-1-morpholin-4-ylbutan-1-one?
The InChIKey is YDDQXRANBARGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c15-13-6-2-1-4-12(13)5-3-7-14(17)16-8-10-18-11-9-16/h1-2,4,6H,3,5,7-11H2.
What are the key properties of 4-(2-bromophenyl)-1-morpholin-4-ylbutan-1-one?
4-(2-bromophenyl)-1-morpholin-4-ylbutan-1-one has a molecular weight of 312.21 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 166222857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).