1-[2-(bromomethyl)-3-(3-methylphenyl)propyl]-3,5-dimethylbenzene

C19H23Br — CID 66042111

IUPAC1-[2-(bromomethyl)-3-(3-methylphenyl)propyl]-3,5-dimethylbenzene
SMILESCc1cccc(CC(CBr)Cc2cc(C)cc(C)c2)c1
InChIInChI=1S/C19H23Br/c1-14-5-4-6-17(8-14)11-19(13-20)12-18-9-15(2)7-16(3)10-18/h4-10,19H,11-13H2,1-3H3
InChIKeyBQVBMMYMWSBLTM-UHFFFAOYSA-N
MW331.30 g/mol
LogP5.41
Rot. Bonds5

About 1-[2-(bromomethyl)-3-(3-methylphenyl)propyl]-3,5-dimethylbenzene

1-[2-(bromomethyl)-3-(3-methylphenyl)propyl]-3,5-dimethylbenzene (PubChem CID 66042111) has the molecular formula C19H23Br and a molecular weight of 331.30 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-3-(3-methylphenyl)propyl]-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-[2-(bromomethyl)-3-(3-methylphenyl)propyl]-3,5-dimethylbenzene
PubChem CID66042111
Molecular FormulaC19H23Br
Molecular Weight331.30 g/mol
Exact Mass330.10
IUPAC Name1-[2-(bromomethyl)-3-(3-methylphenyl)propyl]-3,5-dimethylbenzene
SMILESCc1cccc(CC(CBr)Cc2cc(C)cc(C)c2)c1
InChIInChI=1S/C19H23Br/c1-14-5-4-6-17(8-14)11-19(13-20)12-18-9-15(2)7-16(3)10-18/h4-10,19H,11-13H2,1-3H3
InChIKeyBQVBMMYMWSBLTM-UHFFFAOYSA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.30
LogP ≤ 55.41
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-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]-3-methylbenzene
CID 66040904
1-[2-(bromomethyl)-3-(4-methylphenyl)propyl]-3,5-dimethylbenzene
CID 66041072
2-bromo-5-[2-(bromomethyl)-3-(3-methylphenyl)propyl]thiophene
CID 66041103
3-bromo-5-[2-(bromomethyl)-3-(3-methylphenyl)propyl]pyridine
CID 104813345
1-[2-(bromomethyl)octyl]-3-methylbenzene
CID 66040903
1-[2-(bromomethyl)nonyl]-3-methylbenzene
CID 66041904
1-[2-(bromomethyl)decyl]-3-methylbenzene
CID 66043712
1-[2-(bromomethyl)-4-ethoxybutyl]-3-methylbenzene
CID 66041509
1-[2-(bromomethyl)-4-ethylsulfonylbutyl]-3-methylbenzene
CID 66042304
5-[2-(bromomethyl)-3-(3-methylphenyl)propyl]-1,3-thiazole
CID 112645336
5-[2-(bromomethyl)-3-(3-methylphenyl)propyl]-1-methyl-1,2,4-triazole
CID 66042511
2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79001620

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)-3-(3-methylphenyl)propyl]-3,5-dimethylbenzene?
The IUPAC name of 1-[2-(bromomethyl)-3-(3-methylphenyl)propyl]-3,5-dimethylbenzene (CID 66042111) is 1-[2-(bromomethyl)-3-(3-methylphenyl)propyl]-3,5-dimethylbenzene.
What is the SMILES notation for 1-[2-(bromomethyl)-3-(3-methylphenyl)propyl]-3,5-dimethylbenzene?
The canonical SMILES for 1-[2-(bromomethyl)-3-(3-methylphenyl)propyl]-3,5-dimethylbenzene is Cc1cccc(CC(CBr)Cc2cc(C)cc(C)c2)c1.
What is the InChIKey of 1-[2-(bromomethyl)-3-(3-methylphenyl)propyl]-3,5-dimethylbenzene?
The InChIKey is BQVBMMYMWSBLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Br/c1-14-5-4-6-17(8-14)11-19(13-20)12-18-9-15(2)7-16(3)10-18/h4-10,19H,11-13H2,1-3H3.
What are the key properties of 1-[2-(bromomethyl)-3-(3-methylphenyl)propyl]-3,5-dimethylbenzene?
1-[2-(bromomethyl)-3-(3-methylphenyl)propyl]-3,5-dimethylbenzene has a molecular weight of 331.30 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)-3-(3-methylphenyl)propyl]-3,5-dimethylbenzene is sourced from PubChem (CID 66042111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).