2-bromo-1-methoxy-4-[(4-propan-2-ylphenoxy)methyl]benzene

C17H19BrO2 — CID 60673925

IUPAC2-bromo-1-methoxy-4-[(4-propan-2-ylphenoxy)methyl]benzene
SMILESCOc1ccc(COc2ccc(C(C)C)cc2)cc1Br
InChIInChI=1S/C17H19BrO2/c1-12(2)14-5-7-15(8-6-14)20-11-13-4-9-17(19-3)16(18)10-13/h4-10,12H,11H2,1-3H3
InChIKeyOAGIQVVLJPZFNG-UHFFFAOYSA-N
MW335.24 g/mol
LogP5.16
Rot. Bonds5

About 2-bromo-1-methoxy-4-[(4-propan-2-ylphenoxy)methyl]benzene

2-bromo-1-methoxy-4-[(4-propan-2-ylphenoxy)methyl]benzene (PubChem CID 60673925) has the molecular formula C17H19BrO2 and a molecular weight of 335.24 g/mol. Its IUPAC name is 2-bromo-1-methoxy-4-[(4-propan-2-ylphenoxy)methyl]benzene.

Molecular Properties

Compound Name2-bromo-1-methoxy-4-[(4-propan-2-ylphenoxy)methyl]benzene
PubChem CID60673925
Molecular FormulaC17H19BrO2
Molecular Weight335.24 g/mol
Exact Mass334.06
IUPAC Name2-bromo-1-methoxy-4-[(4-propan-2-ylphenoxy)methyl]benzene
SMILESCOc1ccc(COc2ccc(C(C)C)cc2)cc1Br
InChIInChI=1S/C17H19BrO2/c1-12(2)14-5-7-15(8-6-14)20-11-13-4-9-17(19-3)16(18)10-13/h4-10,12H,11H2,1-3H3
InChIKeyOAGIQVVLJPZFNG-UHFFFAOYSA-N
XLogP5.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.24
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 78933056
2-bromo-5-[(4-propan-2-ylphenoxy)methyl]aniline
CID 115557430
(1S)-1-[3-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 63368413
methyl 4-[(3-bromo-4-methoxyphenyl)methoxy]benzoate
CID 60673471
2-bromo-4-[(4-chloro-3-fluorophenoxy)methyl]-1-methoxybenzene
CID 82716215
1-(bromomethyl)-4-[(4-propan-2-ylphenyl)methoxy]benzene
CID 43141529
2-bromo-4-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1-methoxybenzene
CID 63536563
2-bromo-4-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1-methoxybenzene
CID 115402080
2-bromo-4-(chloromethyl)-1-[(4-propan-2-ylphenyl)methoxy]benzene
CID 63536071
(1S)-1-[4-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethanol
CID 78933373
4-(bromomethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene
CID 43324734
2-bromo-4-[(3-fluoro-4-methylphenoxy)methyl]-1-methoxybenzene
CID 107170178

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-methoxy-4-[(4-propan-2-ylphenoxy)methyl]benzene?
The IUPAC name of 2-bromo-1-methoxy-4-[(4-propan-2-ylphenoxy)methyl]benzene (CID 60673925) is 2-bromo-1-methoxy-4-[(4-propan-2-ylphenoxy)methyl]benzene.
What is the SMILES notation for 2-bromo-1-methoxy-4-[(4-propan-2-ylphenoxy)methyl]benzene?
The canonical SMILES for 2-bromo-1-methoxy-4-[(4-propan-2-ylphenoxy)methyl]benzene is COc1ccc(COc2ccc(C(C)C)cc2)cc1Br.
What is the InChIKey of 2-bromo-1-methoxy-4-[(4-propan-2-ylphenoxy)methyl]benzene?
The InChIKey is OAGIQVVLJPZFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO2/c1-12(2)14-5-7-15(8-6-14)20-11-13-4-9-17(19-3)16(18)10-13/h4-10,12H,11H2,1-3H3.
What are the key properties of 2-bromo-1-methoxy-4-[(4-propan-2-ylphenoxy)methyl]benzene?
2-bromo-1-methoxy-4-[(4-propan-2-ylphenoxy)methyl]benzene has a molecular weight of 335.24 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-methoxy-4-[(4-propan-2-ylphenoxy)methyl]benzene is sourced from PubChem (CID 60673925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).