1-(bromomethyl)-4-[(4-methylphenyl)methoxy]benzene

C15H15BrO — CID 22983698

IUPAC1-(bromomethyl)-4-[(4-methylphenyl)methoxy]benzene
SMILESCc1ccc(COc2ccc(CBr)cc2)cc1
InChIInChI=1S/C15H15BrO/c1-12-2-4-14(5-3-12)11-17-15-8-6-13(10-16)7-9-15/h2-9H,10-11H2,1H3
InChIKeyIJRVOJWBFFMZDX-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.47
Rot. Bonds4

About 1-(bromomethyl)-4-[(4-methylphenyl)methoxy]benzene

1-(bromomethyl)-4-[(4-methylphenyl)methoxy]benzene (PubChem CID 22983698) has the molecular formula C15H15BrO and a molecular weight of 291.19 g/mol. Its IUPAC name is 1-(bromomethyl)-4-[(4-methylphenyl)methoxy]benzene.

Molecular Properties

Compound Name1-(bromomethyl)-4-[(4-methylphenyl)methoxy]benzene
PubChem CID22983698
Molecular FormulaC15H15BrO
Molecular Weight291.19 g/mol
Exact Mass290.03
IUPAC Name1-(bromomethyl)-4-[(4-methylphenyl)methoxy]benzene
SMILESCc1ccc(COc2ccc(CBr)cc2)cc1
InChIInChI=1S/C15H15BrO/c1-12-2-4-14(5-3-12)11-17-15-8-6-13(10-16)7-9-15/h2-9H,10-11H2,1H3
InChIKeyIJRVOJWBFFMZDX-UHFFFAOYSA-N
XLogP4.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.47
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-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
1-(bromomethyl)-4-[2-(4-methylphenyl)ethoxy]benzene
CID 59435282
[4-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol
CID 86004724
1-(bromomethyl)-4-[(4-propan-2-ylphenyl)methoxy]benzene
CID 43141529
4-[[4-(bromomethyl)phenoxy]methyl]benzonitrile
CID 43141537
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
1-(bromomethyl)-4-[(4-ethenylphenyl)methoxy]benzene
CID 4686859
4-[[4-[(4-methylphenyl)methoxy]phenyl]methoxymethyl]pyridine
CID 23399976
2-bromo-4-(bromomethyl)-1-[(4-methylphenyl)methoxy]benzene
CID 63534889
potassium trifluoro-[4-[(4-methylphenyl)methoxy]phenyl]boranuide
CID 63677677
1-(bromomethyl)-4-(4-methylphenyl)benzene;methane
CID 157394028
4-[(4-methylphenyl)methoxy]-N-propan-2-ylaniline
CID 155469533

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-[(4-methylphenyl)methoxy]benzene?
The IUPAC name of 1-(bromomethyl)-4-[(4-methylphenyl)methoxy]benzene (CID 22983698) is 1-(bromomethyl)-4-[(4-methylphenyl)methoxy]benzene.
What is the SMILES notation for 1-(bromomethyl)-4-[(4-methylphenyl)methoxy]benzene?
The canonical SMILES for 1-(bromomethyl)-4-[(4-methylphenyl)methoxy]benzene is Cc1ccc(COc2ccc(CBr)cc2)cc1.
What is the InChIKey of 1-(bromomethyl)-4-[(4-methylphenyl)methoxy]benzene?
The InChIKey is IJRVOJWBFFMZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO/c1-12-2-4-14(5-3-12)11-17-15-8-6-13(10-16)7-9-15/h2-9H,10-11H2,1H3.
What are the key properties of 1-(bromomethyl)-4-[(4-methylphenyl)methoxy]benzene?
1-(bromomethyl)-4-[(4-methylphenyl)methoxy]benzene has a molecular weight of 291.19 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-[(4-methylphenyl)methoxy]benzene is sourced from PubChem (CID 22983698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).