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

C17H19BrO — CID 43141529

IUPAC1-(bromomethyl)-4-[(4-propan-2-ylphenyl)methoxy]benzene
SMILESCC(C)c1ccc(COc2ccc(CBr)cc2)cc1
InChIInChI=1S/C17H19BrO/c1-13(2)16-7-3-15(4-8-16)12-19-17-9-5-14(11-18)6-10-17/h3-10,13H,11-12H2,1-2H3
InChIKeyYXRZMNSQJSIHDG-UHFFFAOYSA-N
MW319.24 g/mol
LogP5.28
Rot. Bonds5

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

1-(bromomethyl)-4-[(4-propan-2-ylphenyl)methoxy]benzene (PubChem CID 43141529) has the molecular formula C17H19BrO and a molecular weight of 319.24 g/mol. Its IUPAC name is 1-(bromomethyl)-4-[(4-propan-2-ylphenyl)methoxy]benzene.

Molecular Properties

Compound Name1-(bromomethyl)-4-[(4-propan-2-ylphenyl)methoxy]benzene
PubChem CID43141529
Molecular FormulaC17H19BrO
Molecular Weight319.24 g/mol
Exact Mass318.06
IUPAC Name1-(bromomethyl)-4-[(4-propan-2-ylphenyl)methoxy]benzene
SMILESCC(C)c1ccc(COc2ccc(CBr)cc2)cc1
InChIInChI=1S/C17H19BrO/c1-13(2)16-7-3-15(4-8-16)12-19-17-9-5-14(11-18)6-10-17/h3-10,13H,11-12H2,1-2H3
InChIKeyYXRZMNSQJSIHDG-UHFFFAOYSA-N
XLogP5.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.24
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-[(4-propan-2-ylphenyl)methoxy]benzene
CID 59709478
(1S)-1-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 28973753
1-(bromomethyl)-4-[(4-methylphenyl)methoxy]benzene
CID 22983698
2-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]ethanamine
CID 105350512
2-bromo-1-methoxy-4-[(4-propan-2-ylphenoxy)methyl]benzene
CID 60673925
4-[(4-propan-2-ylphenyl)methoxy]benzoate
CID 7101920
[4-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol
CID 86004724
1-(bromomethyl)-4-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene
CID 63534360
4-(bromomethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene
CID 43324734
2-bromo-5-[(4-propan-2-ylphenoxy)methyl]aniline
CID 115557430
3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]prop-2-yn-1-ol
CID 60799873
4-[[4-(bromomethyl)phenoxy]methyl]benzonitrile
CID 43141537

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-[(4-propan-2-ylphenyl)methoxy]benzene?
The IUPAC name of 1-(bromomethyl)-4-[(4-propan-2-ylphenyl)methoxy]benzene (CID 43141529) is 1-(bromomethyl)-4-[(4-propan-2-ylphenyl)methoxy]benzene.
What is the SMILES notation for 1-(bromomethyl)-4-[(4-propan-2-ylphenyl)methoxy]benzene?
The canonical SMILES for 1-(bromomethyl)-4-[(4-propan-2-ylphenyl)methoxy]benzene is CC(C)c1ccc(COc2ccc(CBr)cc2)cc1.
What is the InChIKey of 1-(bromomethyl)-4-[(4-propan-2-ylphenyl)methoxy]benzene?
The InChIKey is YXRZMNSQJSIHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO/c1-13(2)16-7-3-15(4-8-16)12-19-17-9-5-14(11-18)6-10-17/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 1-(bromomethyl)-4-[(4-propan-2-ylphenyl)methoxy]benzene?
1-(bromomethyl)-4-[(4-propan-2-ylphenyl)methoxy]benzene has a molecular weight of 319.24 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-[(4-propan-2-ylphenyl)methoxy]benzene is sourced from PubChem (CID 43141529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).