4-(4-bromophenyl)morpholine;1,4-dibromobenzene;4-(4-ethynylphenyl)morpholine;ethynyl(trimethyl)silane

C33H39Br3N2O2Si — CID 159764103

IUPAC4-(4-bromophenyl)morpholine;1,4-dibromobenzene;4-(4-ethynylphenyl)morpholine;ethynyl(trimethyl)silane
SMILESBrc1ccc(Br)cc1.Brc1ccc(N2CCOCC2)cc1.C#C[Si](C)(C)C.C#Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C12H13NO.C10H12BrNO.C6H4Br2.C5H10Si/c1-2-11-3-5-12(6-4-11)13-7-9-14-10-8-13;11-9-1-3-10(4-2-9)12-5-7-13-8-6-12;7-5-1-2-6(8)4-3-5;1-5-6(2,3)4/h1,3-6H,7-10H2;1-4H,5-8H2;1-4H;1H,2-4H3
InChIKeyNFGULMDHZAJIJR-UHFFFAOYSA-N
MW763.49 g/mol
LogP8.50
Rot. Bonds2

About 4-(4-bromophenyl)morpholine;1,4-dibromobenzene;4-(4-ethynylphenyl)morpholine;ethynyl(trimethyl)silane

4-(4-bromophenyl)morpholine;1,4-dibromobenzene;4-(4-ethynylphenyl)morpholine;ethynyl(trimethyl)silane (PubChem CID 159764103) has the molecular formula C33H39Br3N2O2Si and a molecular weight of 763.49 g/mol. Its IUPAC name is 4-(4-bromophenyl)morpholine;1,4-dibromobenzene;4-(4-ethynylphenyl)morpholine;ethynyl(trimethyl)silane.

Molecular Properties

Compound Name4-(4-bromophenyl)morpholine;1,4-dibromobenzene;4-(4-ethynylphenyl)morpholine;ethynyl(trimethyl)silane
PubChem CID159764103
Molecular FormulaC33H39Br3N2O2Si
Molecular Weight763.49 g/mol
Exact Mass760.03
IUPAC Name4-(4-bromophenyl)morpholine;1,4-dibromobenzene;4-(4-ethynylphenyl)morpholine;ethynyl(trimethyl)silane
SMILESBrc1ccc(Br)cc1.Brc1ccc(N2CCOCC2)cc1.C#C[Si](C)(C)C.C#Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C12H13NO.C10H12BrNO.C6H4Br2.C5H10Si/c1-2-11-3-5-12(6-4-11)13-7-9-14-10-8-13;11-9-1-3-10(4-2-9)12-5-7-13-8-6-12;7-5-1-2-6(8)4-3-5;1-5-6(2,3)4/h1,3-6H,7-10H2;1-4H,5-8H2;1-4H;1H,2-4H3
InChIKeyNFGULMDHZAJIJR-UHFFFAOYSA-N
XLogP8.50
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.49
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-bromophenyl)-1,3-oxazolidine
CID 150695273
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)benzonitrile
CID 11068507
4-(4-ethynyl-3-methylphenyl)morpholine
CID 169489219
13-(4-ethynyl-2-methoxyphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 88924483
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
4-(4-ethynylphenyl)morpholin-3-one
CID 119094616
4-(4-ethynylphenyl)-2,6-dimethylmorpholine
CID 22494643
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
6-(4-bromophenyl)-1-oxa-6-azaspiro[2.5]octane
CID 162742042
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
CID 2795361
(3R)-4-(4-bromophenyl)-3-methylmorpholine
CID 134252905

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)morpholine;1,4-dibromobenzene;4-(4-ethynylphenyl)morpholine;ethynyl(trimethyl)silane?
The IUPAC name of 4-(4-bromophenyl)morpholine;1,4-dibromobenzene;4-(4-ethynylphenyl)morpholine;ethynyl(trimethyl)silane (CID 159764103) is 4-(4-bromophenyl)morpholine;1,4-dibromobenzene;4-(4-ethynylphenyl)morpholine;ethynyl(trimethyl)silane.
What is the SMILES notation for 4-(4-bromophenyl)morpholine;1,4-dibromobenzene;4-(4-ethynylphenyl)morpholine;ethynyl(trimethyl)silane?
The canonical SMILES for 4-(4-bromophenyl)morpholine;1,4-dibromobenzene;4-(4-ethynylphenyl)morpholine;ethynyl(trimethyl)silane is Brc1ccc(Br)cc1.Brc1ccc(N2CCOCC2)cc1.C#C[Si](C)(C)C.C#Cc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-(4-bromophenyl)morpholine;1,4-dibromobenzene;4-(4-ethynylphenyl)morpholine;ethynyl(trimethyl)silane?
The InChIKey is NFGULMDHZAJIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO.C10H12BrNO.C6H4Br2.C5H10Si/c1-2-11-3-5-12(6-4-11)13-7-9-14-10-8-13;11-9-1-3-10(4-2-9)12-5-7-13-8-6-12;7-5-1-2-6(8)4-3-5;1-5-6(2,3)4/h1,3-6H,7-10H2;1-4H,5-8H2;1-4H;1H,2-4H3.
What are the key properties of 4-(4-bromophenyl)morpholine;1,4-dibromobenzene;4-(4-ethynylphenyl)morpholine;ethynyl(trimethyl)silane?
4-(4-bromophenyl)morpholine;1,4-dibromobenzene;4-(4-ethynylphenyl)morpholine;ethynyl(trimethyl)silane has a molecular weight of 763.49 g/mol, XLogP of 8.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)morpholine;1,4-dibromobenzene;4-(4-ethynylphenyl)morpholine;ethynyl(trimethyl)silane is sourced from PubChem (CID 159764103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).