2-(2-bromoethoxy)-1-methyl-3-phenylbenzene

C15H15BrO — CID 171037127

IUPAC2-(2-bromoethoxy)-1-methyl-3-phenylbenzene
SMILESCc1cccc(-c2ccccc2)c1OCCBr
InChIInChI=1S/C15H15BrO/c1-12-6-5-9-14(15(12)17-11-10-16)13-7-3-2-4-8-13/h2-9H,10-11H2,1H3
InChIKeyKZCRDGHILNVTJW-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.44
Rot. Bonds4

About 2-(2-bromoethoxy)-1-methyl-3-phenylbenzene

2-(2-bromoethoxy)-1-methyl-3-phenylbenzene (PubChem CID 171037127) has the molecular formula C15H15BrO and a molecular weight of 291.19 g/mol. Its IUPAC name is 2-(2-bromoethoxy)-1-methyl-3-phenylbenzene.

Molecular Properties

Compound Name2-(2-bromoethoxy)-1-methyl-3-phenylbenzene
PubChem CID171037127
Molecular FormulaC15H15BrO
Molecular Weight291.19 g/mol
Exact Mass290.03
IUPAC Name2-(2-bromoethoxy)-1-methyl-3-phenylbenzene
SMILESCc1cccc(-c2ccccc2)c1OCCBr
InChIInChI=1S/C15H15BrO/c1-12-6-5-9-14(15(12)17-11-10-16)13-7-3-2-4-8-13/h2-9H,10-11H2,1H3
InChIKeyKZCRDGHILNVTJW-UHFFFAOYSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromoethoxy)-1-(3-chlorophenyl)-3-methylbenzene
CID 171037138
2-(3-bromopropoxy)-1-methyl-3-(3-methylphenyl)benzene
CID 171037157
ethane;1-methyl-3-phenyl-2-sulfanyloxybenzene
CID 144756477
1-methyl-3-phenyl-2-propan-2-yloxybenzene
CID 101215172
1,2-dimethyl-3-phenylbenzene;ethane
CID 90738674
2-ethoxy-1,3-diphenylbenzene;zinc
CID 175181234
1,3-dimethyl-2-(2-phenoxyethoxy)benzene
CID 78906435
2-[2-(9H-fluoren-4-yl)-6-methylphenoxy]ethanol
CID 151946123
2-methoxy-1,3-diphenylbenzene
CID 23524590
1-[1-(2-methylphenyl)ethenyl]-3-phenyl-2-phenylmethoxybenzene
CID 58238534
1-(4-methylphenyl)-2-[2-(4-methylphenyl)-6-phenylphenoxy]-3-phenylbenzene
CID 140972747
2-[2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol
CID 139797700

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethoxy)-1-methyl-3-phenylbenzene?
The IUPAC name of 2-(2-bromoethoxy)-1-methyl-3-phenylbenzene (CID 171037127) is 2-(2-bromoethoxy)-1-methyl-3-phenylbenzene.
What is the SMILES notation for 2-(2-bromoethoxy)-1-methyl-3-phenylbenzene?
The canonical SMILES for 2-(2-bromoethoxy)-1-methyl-3-phenylbenzene is Cc1cccc(-c2ccccc2)c1OCCBr.
What is the InChIKey of 2-(2-bromoethoxy)-1-methyl-3-phenylbenzene?
The InChIKey is KZCRDGHILNVTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO/c1-12-6-5-9-14(15(12)17-11-10-16)13-7-3-2-4-8-13/h2-9H,10-11H2,1H3.
What are the key properties of 2-(2-bromoethoxy)-1-methyl-3-phenylbenzene?
2-(2-bromoethoxy)-1-methyl-3-phenylbenzene has a molecular weight of 291.19 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethoxy)-1-methyl-3-phenylbenzene is sourced from PubChem (CID 171037127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).