1-(1-bromoethoxy)-2-phenylmethoxybenzene

C15H15BrO2 — CID 89045446

IUPAC1-(1-bromoethoxy)-2-phenylmethoxybenzene
SMILESCC(Br)Oc1ccccc1OCc1ccccc1
InChIInChI=1S/C15H15BrO2/c1-12(16)18-15-10-6-5-9-14(15)17-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3
InChIKeyUXNLJXROBQYCHD-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.39
Rot. Bonds5

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

1-(1-bromoethoxy)-2-phenylmethoxybenzene (PubChem CID 89045446) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is 1-(1-bromoethoxy)-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1-(1-bromoethoxy)-2-phenylmethoxybenzene
PubChem CID89045446
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name1-(1-bromoethoxy)-2-phenylmethoxybenzene
SMILESCC(Br)Oc1ccccc1OCc1ccccc1
InChIInChI=1S/C15H15BrO2/c1-12(16)18-15-10-6-5-9-14(15)17-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3
InChIKeyUXNLJXROBQYCHD-UHFFFAOYSA-N
XLogP4.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.39
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

1-(1-methoxyethoxy)-2-phenylmethoxybenzene
CID 22756308
3-phenyl-2-(2-phenylmethoxyphenoxy)propan-1-amine
CID 154520924
N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine
CID 3061511
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
1-[2-(1-methoxyethoxy)ethoxy]-2-phenylmethoxybenzene
CID 20729029
1-methyl-3-phenylmethoxy-2-propan-2-yloxybenzene
CID 174337570
methyl-[(2R)-2-methyl-3-(2-phenylmethoxyphenoxy)propyl]azanium
CID 6947943
2-(2-phenylmethoxyphenyl)butane-1,3-diamine
CID 57280204
2,2-dibromo-1-(2-phenylmethoxyphenyl)ethanone
CID 87515751
3-[1-(2-phenylmethoxyphenoxy)ethyl]piperidine
CID 68596615
(2R)-1-[3,4-bis(phenylmethoxy)phenyl]-2-bromobutan-1-one
CID 93481400
(1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol
CID 78932268

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromoethoxy)-2-phenylmethoxybenzene?
The IUPAC name of 1-(1-bromoethoxy)-2-phenylmethoxybenzene (CID 89045446) is 1-(1-bromoethoxy)-2-phenylmethoxybenzene.
What is the SMILES notation for 1-(1-bromoethoxy)-2-phenylmethoxybenzene?
The canonical SMILES for 1-(1-bromoethoxy)-2-phenylmethoxybenzene is CC(Br)Oc1ccccc1OCc1ccccc1.
What is the InChIKey of 1-(1-bromoethoxy)-2-phenylmethoxybenzene?
The InChIKey is UXNLJXROBQYCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2/c1-12(16)18-15-10-6-5-9-14(15)17-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3.
What are the key properties of 1-(1-bromoethoxy)-2-phenylmethoxybenzene?
1-(1-bromoethoxy)-2-phenylmethoxybenzene has a molecular weight of 307.19 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromoethoxy)-2-phenylmethoxybenzene is sourced from PubChem (CID 89045446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).