1-bromo-4-[(2-methoxyphenyl)methoxy]benzene

C14H13BrO2 — CID 54940328

IUPAC1-bromo-4-[(2-methoxyphenyl)methoxy]benzene
SMILESCOc1ccccc1COc1ccc(Br)cc1
InChIInChI=1S/C14H13BrO2/c1-16-14-5-3-2-4-11(14)10-17-13-8-6-12(15)7-9-13/h2-9H,10H2,1H3
InChIKeyVTCFLMGTNPPWLG-UHFFFAOYSA-N
MW293.16 g/mol
LogP4.04
Rot. Bonds4

About 1-bromo-4-[(2-methoxyphenyl)methoxy]benzene

1-bromo-4-[(2-methoxyphenyl)methoxy]benzene (PubChem CID 54940328) has the molecular formula C14H13BrO2 and a molecular weight of 293.16 g/mol. Its IUPAC name is 1-bromo-4-[(2-methoxyphenyl)methoxy]benzene.

Molecular Properties

Compound Name1-bromo-4-[(2-methoxyphenyl)methoxy]benzene
PubChem CID54940328
Molecular FormulaC14H13BrO2
Molecular Weight293.16 g/mol
Exact Mass292.01
IUPAC Name1-bromo-4-[(2-methoxyphenyl)methoxy]benzene
SMILESCOc1ccccc1COc1ccc(Br)cc1
InChIInChI=1S/C14H13BrO2/c1-16-14-5-3-2-4-11(14)10-17-13-8-6-12(15)7-9-13/h2-9H,10H2,1H3
InChIKeyVTCFLMGTNPPWLG-UHFFFAOYSA-N
XLogP4.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-[(2-methoxyphenyl)methoxy]benzaldehyde
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(1S)-1-[4-[(2-methoxyphenyl)methoxy]phenyl]ethanol
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3-[(4-bromophenoxy)methyl]-4-methoxyaniline
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2-(4-bromophenoxy)-N-[(2-methoxyphenyl)methyl]ethanamine
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4-bromo-2-(chloromethyl)-1-[(2-methoxyphenyl)methoxy]benzene
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4-[(5-bromo-2-methoxyphenyl)methoxy]phenol
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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(2-methoxyphenyl)methoxy]benzene?
The IUPAC name of 1-bromo-4-[(2-methoxyphenyl)methoxy]benzene (CID 54940328) is 1-bromo-4-[(2-methoxyphenyl)methoxy]benzene.
What is the SMILES notation for 1-bromo-4-[(2-methoxyphenyl)methoxy]benzene?
The canonical SMILES for 1-bromo-4-[(2-methoxyphenyl)methoxy]benzene is COc1ccccc1COc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[(2-methoxyphenyl)methoxy]benzene?
The InChIKey is VTCFLMGTNPPWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO2/c1-16-14-5-3-2-4-11(14)10-17-13-8-6-12(15)7-9-13/h2-9H,10H2,1H3.
What are the key properties of 1-bromo-4-[(2-methoxyphenyl)methoxy]benzene?
1-bromo-4-[(2-methoxyphenyl)methoxy]benzene has a molecular weight of 293.16 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(2-methoxyphenyl)methoxy]benzene is sourced from PubChem (CID 54940328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).