[1,2-bis(2-bromoethoxy)-2-phenylethyl]benzene

C18H20Br2O2 — CID 10717396

IUPAC[1,2-bis(2-bromoethoxy)-2-phenylethyl]benzene
SMILESBrCCOC(c1ccccc1)C(OCCBr)c1ccccc1
InChIInChI=1S/C18H20Br2O2/c19-11-13-21-17(15-7-3-1-4-8-15)18(22-14-12-20)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKeyVJJHTPPTIUZZDO-UHFFFAOYSA-N
MW428.16 g/mol
LogP5.29
Rot. Bonds9

About [1,2-bis(2-bromoethoxy)-2-phenylethyl]benzene

[1,2-bis(2-bromoethoxy)-2-phenylethyl]benzene (PubChem CID 10717396) has the molecular formula C18H20Br2O2 and a molecular weight of 428.16 g/mol. Its IUPAC name is [1,2-bis(2-bromoethoxy)-2-phenylethyl]benzene.

Molecular Properties

Compound Name[1,2-bis(2-bromoethoxy)-2-phenylethyl]benzene
PubChem CID10717396
Molecular FormulaC18H20Br2O2
Molecular Weight428.16 g/mol
Exact Mass425.98
IUPAC Name[1,2-bis(2-bromoethoxy)-2-phenylethyl]benzene
SMILESBrCCOC(c1ccccc1)C(OCCBr)c1ccccc1
InChIInChI=1S/C18H20Br2O2/c19-11-13-21-17(15-7-3-1-4-8-15)18(22-14-12-20)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKeyVJJHTPPTIUZZDO-UHFFFAOYSA-N
XLogP5.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.16
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-bromo-1-(2-bromoethoxy)ethyl]benzene
CID 13011074
1-(2-bromoethoxy)ethylbenzene
CID 24688557
[(1R,2R)-2-phenyl-1,2-dipropoxyethyl]benzene
CID 10983775
(1,2-dihexoxy-2-phenylethyl)benzene
CID 14092843
(1-methoxy-2-phenyl-2-propoxyethyl)benzene
CID 175600461
1-(6-bromohexoxy)propylbenzene
CID 19798028
2-[(1R)-2-methyl-1-phenylpropoxy]ethanamine
CID 124500369
1-(2-bromoethoxy)ethoxybenzene
CID 69208548
[1-butoxy-2-(3-methylbutoxy)-2-phenylethyl]benzene
CID 139393088
1-methoxy-4-[(1S,2S)-2-[2-[(1S,2S)-2-[2-[(1S,2S)-2-(4-methoxyphenyl)-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethyl]benzene
CID 101271686
[(1S,2S)-1-ethoxy-2-methoxy-2-phenylethyl]benzene
CID 143834566
(2R,3S)-3-(2-hydroxyethoxy)-2-iodo-3-phenylpropan-1-ol
CID 51051061

Frequently Asked Questions

What is the IUPAC name of [1,2-bis(2-bromoethoxy)-2-phenylethyl]benzene?
The IUPAC name of [1,2-bis(2-bromoethoxy)-2-phenylethyl]benzene (CID 10717396) is [1,2-bis(2-bromoethoxy)-2-phenylethyl]benzene.
What is the SMILES notation for [1,2-bis(2-bromoethoxy)-2-phenylethyl]benzene?
The canonical SMILES for [1,2-bis(2-bromoethoxy)-2-phenylethyl]benzene is BrCCOC(c1ccccc1)C(OCCBr)c1ccccc1.
What is the InChIKey of [1,2-bis(2-bromoethoxy)-2-phenylethyl]benzene?
The InChIKey is VJJHTPPTIUZZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Br2O2/c19-11-13-21-17(15-7-3-1-4-8-15)18(22-14-12-20)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2.
What are the key properties of [1,2-bis(2-bromoethoxy)-2-phenylethyl]benzene?
[1,2-bis(2-bromoethoxy)-2-phenylethyl]benzene has a molecular weight of 428.16 g/mol, XLogP of 5.29, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2-bis(2-bromoethoxy)-2-phenylethyl]benzene is sourced from PubChem (CID 10717396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).