1-(bromomethyl)-4-(4-methylphenyl)benzene;methane

C15H17Br — CID 157394028

IUPAC1-(bromomethyl)-4-(4-methylphenyl)benzene;methane
SMILESC.Cc1ccc(-c2ccc(CBr)cc2)cc1
InChIInChI=1S/C14H13Br.CH4/c1-11-2-6-13(7-3-11)14-8-4-12(10-15)5-9-14;/h2-9H,10H2,1H3;1H4
InChIKeyBMIWXQURMKHFOZ-UHFFFAOYSA-N
MW277.21 g/mol
LogP5.19
Rot. Bonds2

About 1-(bromomethyl)-4-(4-methylphenyl)benzene;methane

1-(bromomethyl)-4-(4-methylphenyl)benzene;methane (PubChem CID 157394028) has the molecular formula C15H17Br and a molecular weight of 277.21 g/mol. Its IUPAC name is 1-(bromomethyl)-4-(4-methylphenyl)benzene;methane.

Molecular Properties

Compound Name1-(bromomethyl)-4-(4-methylphenyl)benzene;methane
PubChem CID157394028
Molecular FormulaC15H17Br
Molecular Weight277.21 g/mol
Exact Mass276.05
IUPAC Name1-(bromomethyl)-4-(4-methylphenyl)benzene;methane
SMILESC.Cc1ccc(-c2ccc(CBr)cc2)cc1
InChIInChI=1S/C14H13Br.CH4/c1-11-2-6-13(7-3-11)14-8-4-12(10-15)5-9-14;/h2-9H,10H2,1H3;1H4
InChIKeyBMIWXQURMKHFOZ-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.21
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1'-biphenyl;1-(bromomethyl)-4-phenylbenzene
CID 174560327
1-(bromomethyl)-4-[(4-methylphenyl)methoxy]benzene
CID 22983698
2-[4-(bromomethyl)phenyl]pyridine;2-(4-methylphenyl)pyridine
CID 175312241
1-(bromomethyl)-4-[2-(4-methylphenyl)ethoxy]benzene
CID 59435282
1,2,4,5-tetrakis[4-(bromomethyl)phenyl]benzene
CID 5064576
benzene;ethane;1-methyl-4-(4-methylphenyl)benzene
CID 161197560
1-(bromomethyl)-4-methylbenzene;methyl 2-(4-methylphenyl)acetate
CID 158061256
methane;pentakis(1,4-xylene)
CID 160760083
ethane;methane;1-methyl-4-phenylbenzene
CID 143611995
ethane;1-methyl-4-[4-(nitrosomethyl)phenyl]benzene
CID 145467953
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-(4-methylphenyl)-N-[[4-(4-methylphenyl)phenyl]methyl]methanamine
CID 171059943

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-(4-methylphenyl)benzene;methane?
The IUPAC name of 1-(bromomethyl)-4-(4-methylphenyl)benzene;methane (CID 157394028) is 1-(bromomethyl)-4-(4-methylphenyl)benzene;methane.
What is the SMILES notation for 1-(bromomethyl)-4-(4-methylphenyl)benzene;methane?
The canonical SMILES for 1-(bromomethyl)-4-(4-methylphenyl)benzene;methane is C.Cc1ccc(-c2ccc(CBr)cc2)cc1.
What is the InChIKey of 1-(bromomethyl)-4-(4-methylphenyl)benzene;methane?
The InChIKey is BMIWXQURMKHFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br.CH4/c1-11-2-6-13(7-3-11)14-8-4-12(10-15)5-9-14;/h2-9H,10H2,1H3;1H4.
What are the key properties of 1-(bromomethyl)-4-(4-methylphenyl)benzene;methane?
1-(bromomethyl)-4-(4-methylphenyl)benzene;methane has a molecular weight of 277.21 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-(4-methylphenyl)benzene;methane is sourced from PubChem (CID 157394028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).