dimagnesium;(3-bromo-5-phenylpentyl)benzene;1,5-diphenylpentan-3-ol;ethylbenzene;methane;5-phenylpentylbenzene;3-phenylpropanal;dibromide

C69H81Br3Mg2O2 — CID 158116491

IUPACdimagnesium;(3-bromo-5-phenylpentyl)benzene;1,5-diphenylpentan-3-ol;ethylbenzene;methane;5-phenylpentylbenzene;3-phenylpropanal;dibromide
SMILESBrC(CCc1ccccc1)CCc1ccccc1.C.O=CCCc1ccccc1.OC(CCc1ccccc1)CCc1ccccc1.[Br-].[Br-].[CH2-]Cc1ccccc1.[Mg+2].[Mg+2].c1ccc(CC[CH-]CCc2ccccc2)cc1
InChIInChI=1S/C17H19Br.C17H20O.C17H19.C9H10O.C8H9.CH4.2BrH.2Mg/c2*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;1-4-10-16(11-5-1)14-8-3-9-15-17-12-6-2-7-13-17;10-8-4-7-9-5-2-1-3-6-9;1-2-8-6-4-3-5-7-8;;;;;/h1-10,17H,11-14H2;1-10,17-18H,11-14H2;1-7,10-13H,8-9,14-15H2;1-3,5-6,8H,4,7H2;3-7H,1-2H2;1H4;2*1H;;/q;;-1;;-1;;;;2*+2/p-2
InChIKeyIDJDZEROXLLZJA-UHFFFAOYSA-L
MW1230.73 g/mol
LogP10.85
Rot. Bonds22

About dimagnesium;(3-bromo-5-phenylpentyl)benzene;1,5-diphenylpentan-3-ol;ethylbenzene;methane;5-phenylpentylbenzene;3-phenylpropanal;dibromide

dimagnesium;(3-bromo-5-phenylpentyl)benzene;1,5-diphenylpentan-3-ol;ethylbenzene;methane;5-phenylpentylbenzene;3-phenylpropanal;dibromide (PubChem CID 158116491) has the molecular formula C69H81Br3Mg2O2 and a molecular weight of 1230.73 g/mol. Its IUPAC name is dimagnesium;(3-bromo-5-phenylpentyl)benzene;1,5-diphenylpentan-3-ol;ethylbenzene;methane;5-phenylpentylbenzene;3-phenylpropanal;dibromide.

Molecular Properties

Compound Namedimagnesium;(3-bromo-5-phenylpentyl)benzene;1,5-diphenylpentan-3-ol;ethylbenzene;methane;5-phenylpentylbenzene;3-phenylpropanal;dibromide
PubChem CID158116491
Molecular FormulaC69H81Br3Mg2O2
Molecular Weight1230.73 g/mol
Exact Mass1226.35
IUPAC Namedimagnesium;(3-bromo-5-phenylpentyl)benzene;1,5-diphenylpentan-3-ol;ethylbenzene;methane;5-phenylpentylbenzene;3-phenylpropanal;dibromide
SMILESBrC(CCc1ccccc1)CCc1ccccc1.C.O=CCCc1ccccc1.OC(CCc1ccccc1)CCc1ccccc1.[Br-].[Br-].[CH2-]Cc1ccccc1.[Mg+2].[Mg+2].c1ccc(CC[CH-]CCc2ccccc2)cc1
InChIInChI=1S/C17H19Br.C17H20O.C17H19.C9H10O.C8H9.CH4.2BrH.2Mg/c2*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;1-4-10-16(11-5-1)14-8-3-9-15-17-12-6-2-7-13-17;10-8-4-7-9-5-2-1-3-6-9;1-2-8-6-4-3-5-7-8;;;;;/h1-10,17H,11-14H2;1-10,17-18H,11-14H2;1-7,10-13H,8-9,14-15H2;1-3,5-6,8H,4,7H2;3-7H,1-2H2;1H4;2*1H;;/q;;-1;;-1;;;;2*+2/p-2
InChIKeyIDJDZEROXLLZJA-UHFFFAOYSA-L
XLogP10.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001230.73
LogP ≤ 510.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze dimagnesium;(3-bromo-5-phenylpentyl)benzene;1,5-diphenylpentan-3-ol;ethylbenzene;methane;5-phenylpentylbenzene;3-phenylpropanal;dibromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

magnesium;ethene;5-phenylpent-1-en-3-ol;3-phenylpropanal;bromide
CID 162165297
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
1-phenylheptan-3-ol
CID 10420110
(2R)-1-iodo-4-phenylbutan-2-ol
CID 142003029
5-hydroxy-7-phenylhept-1-en-3-one
CID 71376612
hydrogen sulfite;3-phenylpropanal
CID 175194079
methane;4-phenylbutanal;4-phenylbutan-1-ol
CID 159284311
1-phenylhept-6-yn-3-ol
CID 63657298
[(3R)-3-bromohex-5-enyl]benzene
CID 125475823
2-bromo-5-phenylpentanal
CID 121216418
(2-hydroxy-4-phenylbutyl) carbamate
CID 67337427
6-hydroxy-8-phenyloct-2-en-4-one
CID 71376619

Frequently Asked Questions

What is the IUPAC name of dimagnesium;(3-bromo-5-phenylpentyl)benzene;1,5-diphenylpentan-3-ol;ethylbenzene;methane;5-phenylpentylbenzene;3-phenylpropanal;dibromide?
The IUPAC name of dimagnesium;(3-bromo-5-phenylpentyl)benzene;1,5-diphenylpentan-3-ol;ethylbenzene;methane;5-phenylpentylbenzene;3-phenylpropanal;dibromide (CID 158116491) is dimagnesium;(3-bromo-5-phenylpentyl)benzene;1,5-diphenylpentan-3-ol;ethylbenzene;methane;5-phenylpentylbenzene;3-phenylpropanal;dibromide.
What is the SMILES notation for dimagnesium;(3-bromo-5-phenylpentyl)benzene;1,5-diphenylpentan-3-ol;ethylbenzene;methane;5-phenylpentylbenzene;3-phenylpropanal;dibromide?
The canonical SMILES for dimagnesium;(3-bromo-5-phenylpentyl)benzene;1,5-diphenylpentan-3-ol;ethylbenzene;methane;5-phenylpentylbenzene;3-phenylpropanal;dibromide is BrC(CCc1ccccc1)CCc1ccccc1.C.O=CCCc1ccccc1.OC(CCc1ccccc1)CCc1ccccc1.[Br-].[Br-].[CH2-]Cc1ccccc1.[Mg+2].[Mg+2].c1ccc(CC[CH-]CCc2ccccc2)cc1.
What is the InChIKey of dimagnesium;(3-bromo-5-phenylpentyl)benzene;1,5-diphenylpentan-3-ol;ethylbenzene;methane;5-phenylpentylbenzene;3-phenylpropanal;dibromide?
The InChIKey is IDJDZEROXLLZJA-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H19Br.C17H20O.C17H19.C9H10O.C8H9.CH4.2BrH.2Mg/c2*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;1-4-10-16(11-5-1)14-8-3-9-15-17-12-6-2-7-13-17;10-8-4-7-9-5-2-1-3-6-9;1-2-8-6-4-3-5-7-8;;;;;/h1-10,17H,11-14H2;1-10,17-18H,11-14H2;1-7,10-13H,8-9,14-15H2;1-3,5-6,8H,4,7H2;3-7H,1-2H2;1H4;2*1H;;/q;;-1;;-1;;;;2*+2/p-2.
What are the key properties of dimagnesium;(3-bromo-5-phenylpentyl)benzene;1,5-diphenylpentan-3-ol;ethylbenzene;methane;5-phenylpentylbenzene;3-phenylpropanal;dibromide?
dimagnesium;(3-bromo-5-phenylpentyl)benzene;1,5-diphenylpentan-3-ol;ethylbenzene;methane;5-phenylpentylbenzene;3-phenylpropanal;dibromide has a molecular weight of 1230.73 g/mol, XLogP of 10.85, 22 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium;(3-bromo-5-phenylpentyl)benzene;1,5-diphenylpentan-3-ol;ethylbenzene;methane;5-phenylpentylbenzene;3-phenylpropanal;dibromide is sourced from PubChem (CID 158116491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).