1-(bromomethyl)-4-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene

C18H21BrO2 — CID 63534360

IUPAC1-(bromomethyl)-4-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene
SMILESCOc1ccc(CBr)c(OCc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C18H21BrO2/c1-13(2)15-6-4-14(5-7-15)12-21-18-10-17(20-3)9-8-16(18)11-19/h4-10,13H,11-12H2,1-3H3
InChIKeyXFHHJZXGGLYOKI-UHFFFAOYSA-N
MW349.27 g/mol
LogP5.29
Rot. Bonds6

About 1-(bromomethyl)-4-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene

1-(bromomethyl)-4-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene (PubChem CID 63534360) has the molecular formula C18H21BrO2 and a molecular weight of 349.27 g/mol. Its IUPAC name is 1-(bromomethyl)-4-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene.

Molecular Properties

Compound Name1-(bromomethyl)-4-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene
PubChem CID63534360
Molecular FormulaC18H21BrO2
Molecular Weight349.27 g/mol
Exact Mass348.07
IUPAC Name1-(bromomethyl)-4-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene
SMILESCOc1ccc(CBr)c(OCc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C18H21BrO2/c1-13(2)15-6-4-14(5-7-15)12-21-18-10-17(20-3)9-8-16(18)11-19/h4-10,13H,11-12H2,1-3H3
InChIKeyXFHHJZXGGLYOKI-UHFFFAOYSA-N
XLogP5.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.27
LogP ≤ 55.29
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-(bromomethyl)-2-[(4-chlorophenyl)methoxy]-4-methoxybenzene
CID 63534195
2-bromo-4-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1-methoxybenzene
CID 63536563
1-(bromomethyl)-4-methoxy-2-[(3-methoxyphenyl)methoxy]benzene
CID 61267436
1-(bromomethyl)-2-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzene
CID 61267627
4-(bromomethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene
CID 43324734
1-(bromomethyl)-4-[(4-propan-2-ylphenyl)methoxy]benzene
CID 43141529
1-(chloromethyl)-4-methoxy-2-[(4-methoxyphenyl)methoxy]benzene
CID 61270022
1-(bromomethyl)-4-methoxy-2-(3-methylbutoxy)benzene
CID 61269278
2-(bromomethyl)-4-methyl-1-[(4-propan-2-ylphenyl)methoxy]benzene
CID 63535406
2-bromo-1-methoxy-4-[(4-propan-2-ylphenoxy)methyl]benzene
CID 60673925
2,4-dimethoxy-1-[3-[4-methoxy-2-[(4-methoxyphenyl)methoxy]phenyl]propyl]benzene
CID 139826649
1-(bromomethyl)-2-(2-fluoroethoxy)-4-methoxybenzene
CID 80694443

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene?
The IUPAC name of 1-(bromomethyl)-4-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene (CID 63534360) is 1-(bromomethyl)-4-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene.
What is the SMILES notation for 1-(bromomethyl)-4-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene?
The canonical SMILES for 1-(bromomethyl)-4-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene is COc1ccc(CBr)c(OCc2ccc(C(C)C)cc2)c1.
What is the InChIKey of 1-(bromomethyl)-4-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene?
The InChIKey is XFHHJZXGGLYOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrO2/c1-13(2)15-6-4-14(5-7-15)12-21-18-10-17(20-3)9-8-16(18)11-19/h4-10,13H,11-12H2,1-3H3.
What are the key properties of 1-(bromomethyl)-4-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene?
1-(bromomethyl)-4-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene has a molecular weight of 349.27 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene is sourced from PubChem (CID 63534360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).