1-(2-bromoethoxy)-3-phenylmethoxybenzene

C15H15BrO2 — CID 23294563

IUPAC1-(2-bromoethoxy)-3-phenylmethoxybenzene
SMILESBrCCOc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C15H15BrO2/c16-9-10-17-14-7-4-8-15(11-14)18-12-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2
InChIKeyYEDPHLFWZIQRLT-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.04
Rot. Bonds6

About 1-(2-bromoethoxy)-3-phenylmethoxybenzene

1-(2-bromoethoxy)-3-phenylmethoxybenzene (PubChem CID 23294563) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is 1-(2-bromoethoxy)-3-phenylmethoxybenzene.

Molecular Properties

Compound Name1-(2-bromoethoxy)-3-phenylmethoxybenzene
PubChem CID23294563
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name1-(2-bromoethoxy)-3-phenylmethoxybenzene
SMILESBrCCOc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C15H15BrO2/c16-9-10-17-14-7-4-8-15(11-14)18-12-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2
InChIKeyYEDPHLFWZIQRLT-UHFFFAOYSA-N
XLogP4.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-bromoethoxy)-3-phenylmethoxybenzene 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

1-(2-bromoethoxy)-3-phenoxybenzene
CID 86227563
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
CID 57238609
CID 57238609
1-(8-bromooctoxy)-4-phenylmethoxybenzene
CID 86051798
CID 57452903
CID 57452903
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
1-(5-bromopentoxy)-4-phenylmethoxybenzene;1-(3-bromopropoxy)-4-phenylmethoxybenzene
CID 158329234
bromozinc(1+);1-methanidyl-3-phenylmethoxybenzene
CID 176656392
ethane;1-methyl-4-(3-phenylmethoxyphenoxy)benzene
CID 142197636
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
1,1,1-trifluoro-5-(3-phenylmethoxyphenoxy)pentan-2-one
CID 25017856
1-phenylmethoxy-3-propylbenzene
CID 58977798

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethoxy)-3-phenylmethoxybenzene?
The IUPAC name of 1-(2-bromoethoxy)-3-phenylmethoxybenzene (CID 23294563) is 1-(2-bromoethoxy)-3-phenylmethoxybenzene.
What is the SMILES notation for 1-(2-bromoethoxy)-3-phenylmethoxybenzene?
The canonical SMILES for 1-(2-bromoethoxy)-3-phenylmethoxybenzene is BrCCOc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 1-(2-bromoethoxy)-3-phenylmethoxybenzene?
The InChIKey is YEDPHLFWZIQRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2/c16-9-10-17-14-7-4-8-15(11-14)18-12-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2.
What are the key properties of 1-(2-bromoethoxy)-3-phenylmethoxybenzene?
1-(2-bromoethoxy)-3-phenylmethoxybenzene has a molecular weight of 307.19 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethoxy)-3-phenylmethoxybenzene is sourced from PubChem (CID 23294563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).