2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)-1-morpholin-4-ylethanone

C18H24BrNO3 — CID 68854082

IUPAC2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)-1-morpholin-4-ylethanone
SMILESO=C(C(c1cccc(Br)c1)C1(O)CCCCC1)N1CCOCC1
InChIInChI=1S/C18H24BrNO3/c19-15-6-4-5-14(13-15)16(18(22)7-2-1-3-8-18)17(21)20-9-11-23-12-10-20/h4-6,13,16,22H,1-3,7-12H2
InChIKeyLMZWXBMHHRWZEI-UHFFFAOYSA-N
MW382.30 g/mol
LogP3.09
Rot. Bonds3

About 2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)-1-morpholin-4-ylethanone

2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)-1-morpholin-4-ylethanone (PubChem CID 68854082) has the molecular formula C18H24BrNO3 and a molecular weight of 382.30 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)-1-morpholin-4-ylethanone
PubChem CID68854082
Molecular FormulaC18H24BrNO3
Molecular Weight382.30 g/mol
Exact Mass381.09
IUPAC Name2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)-1-morpholin-4-ylethanone
SMILESO=C(C(c1cccc(Br)c1)C1(O)CCCCC1)N1CCOCC1
InChIInChI=1S/C18H24BrNO3/c19-15-6-4-5-14(13-15)16(18(22)7-2-1-3-8-18)17(21)20-9-11-23-12-10-20/h4-6,13,16,22H,1-3,7-12H2
InChIKeyLMZWXBMHHRWZEI-UHFFFAOYSA-N
XLogP3.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]carbamic acid
CID 69018973
(2R)-2-(1-hydroxycyclohexyl)-1-(4-morpholin-4-ylpiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone
CID 129386366
2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone
CID 91204468
2-[1-(3-bromophenyl)propylamino]-1-morpholin-4-ylpropan-1-one
CID 115889708
4-[2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)ethyl]piperazine-1-carboxylic acid
CID 91396303
4-[(2S)-2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethoxy)phenyl]acetyl]piperazine-1-carboxylic acid
CID 174506052
tert-butyl N-[1-[2-[4-(3-bromophenyl)phenyl]-2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]carbamate
CID 91249616
2-amino-1-morpholin-4-yl-2-phenylethanone
CID 24701957
2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)acetic acid
CID 68853928
tert-butyl 4-[2-(1-hydroxycyclobutyl)-2-[3-(trifluoromethyl)phenyl]acetyl]piperazine-1-carboxylate
CID 68862687
4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]oxan-4-ol
CID 11199492
3-morpholin-4-yl-3-oxo-2-phenylpropanoic acid
CID 102537714

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)-1-morpholin-4-ylethanone (CID 68854082) is 2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)-1-morpholin-4-ylethanone is O=C(C(c1cccc(Br)c1)C1(O)CCCCC1)N1CCOCC1.
What is the InChIKey of 2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)-1-morpholin-4-ylethanone?
The InChIKey is LMZWXBMHHRWZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNO3/c19-15-6-4-5-14(13-15)16(18(22)7-2-1-3-8-18)17(21)20-9-11-23-12-10-20/h4-6,13,16,22H,1-3,7-12H2.
What are the key properties of 2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)-1-morpholin-4-ylethanone?
2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)-1-morpholin-4-ylethanone has a molecular weight of 382.30 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 68854082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).