1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2,4-dimethylbenzene

C19H23Br — CID 63436140

IUPAC1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2,4-dimethylbenzene
SMILESCc1ccc(C(Br)c2ccc(CC(C)C)cc2)c(C)c1
InChIInChI=1S/C19H23Br/c1-13(2)11-16-6-8-17(9-7-16)19(20)18-10-5-14(3)12-15(18)4/h5-10,12-13,19H,11H2,1-4H3
InChIKeyQRVZWQMEKLQOQZ-UHFFFAOYSA-N
MW331.30 g/mol
LogP5.99
Rot. Bonds4

About 1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2,4-dimethylbenzene

1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2,4-dimethylbenzene (PubChem CID 63436140) has the molecular formula C19H23Br and a molecular weight of 331.30 g/mol. Its IUPAC name is 1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2,4-dimethylbenzene
PubChem CID63436140
Molecular FormulaC19H23Br
Molecular Weight331.30 g/mol
Exact Mass330.10
IUPAC Name1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2,4-dimethylbenzene
SMILESCc1ccc(C(Br)c2ccc(CC(C)C)cc2)c(C)c1
InChIInChI=1S/C19H23Br/c1-13(2)11-16-6-8-17(9-7-16)19(20)18-10-5-14(3)12-15(18)4/h5-10,12-13,19H,11H2,1-4H3
InChIKeyQRVZWQMEKLQOQZ-UHFFFAOYSA-N
XLogP5.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.30
LogP ≤ 55.99
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

4-bromo-1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2-methylbenzene
CID 63436054
1-[bromo-(4-ethylphenyl)methyl]-4-(2-methylpropyl)benzene
CID 63435881
1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2,4-dimethylbenzene
CID 55199902
1-[bromo-(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzene
CID 55197419
1-[bromo(phenyl)methyl]-4-(2-methylpropyl)benzene
CID 19010746
2-bromo-6-[bromo-(2,4-dimethylphenyl)methyl]naphthalene
CID 115354342
1-[bromo-(3,5-dimethoxyphenyl)methyl]-2,4-dimethylbenzene
CID 63438910
[4-(2-methylpropyl)phenyl]-(2,4,6-trimethylphenyl)methanamine
CID 43106145
1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2,3-difluorobenzene
CID 63439256
1-[bromo-(4-propylphenyl)methyl]-2-chloro-4-methylbenzene
CID 106863055
(2,4-dimethylphenyl) 2-[4-(2-methylpropyl)phenyl]propanoate
CID 4073405
(2R)-N-(2,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228302

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2,4-dimethylbenzene?
The IUPAC name of 1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2,4-dimethylbenzene (CID 63436140) is 1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2,4-dimethylbenzene.
What is the SMILES notation for 1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2,4-dimethylbenzene?
The canonical SMILES for 1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2,4-dimethylbenzene is Cc1ccc(C(Br)c2ccc(CC(C)C)cc2)c(C)c1.
What is the InChIKey of 1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2,4-dimethylbenzene?
The InChIKey is QRVZWQMEKLQOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Br/c1-13(2)11-16-6-8-17(9-7-16)19(20)18-10-5-14(3)12-15(18)4/h5-10,12-13,19H,11H2,1-4H3.
What are the key properties of 1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2,4-dimethylbenzene?
1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2,4-dimethylbenzene has a molecular weight of 331.30 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2,4-dimethylbenzene is sourced from PubChem (CID 63436140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).