1-[bromo-(4-ethylphenyl)methyl]-4-(2-methylpropyl)benzene

C19H23Br — CID 63435881

IUPAC1-[bromo-(4-ethylphenyl)methyl]-4-(2-methylpropyl)benzene
SMILESCCc1ccc(C(Br)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C19H23Br/c1-4-15-5-9-17(10-6-15)19(20)18-11-7-16(8-12-18)13-14(2)3/h5-12,14,19H,4,13H2,1-3H3
InChIKeyUKBXFZUVNCQEOP-UHFFFAOYSA-N
MW331.30 g/mol
LogP5.93
Rot. Bonds5

About 1-[bromo-(4-ethylphenyl)methyl]-4-(2-methylpropyl)benzene

1-[bromo-(4-ethylphenyl)methyl]-4-(2-methylpropyl)benzene (PubChem CID 63435881) has the molecular formula C19H23Br and a molecular weight of 331.30 g/mol. Its IUPAC name is 1-[bromo-(4-ethylphenyl)methyl]-4-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1-[bromo-(4-ethylphenyl)methyl]-4-(2-methylpropyl)benzene
PubChem CID63435881
Molecular FormulaC19H23Br
Molecular Weight331.30 g/mol
Exact Mass330.10
IUPAC Name1-[bromo-(4-ethylphenyl)methyl]-4-(2-methylpropyl)benzene
SMILESCCc1ccc(C(Br)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C19H23Br/c1-4-15-5-9-17(10-6-15)19(20)18-11-7-16(8-12-18)13-14(2)3/h5-12,14,19H,4,13H2,1-3H3
InChIKeyUKBXFZUVNCQEOP-UHFFFAOYSA-N
XLogP5.93
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 ≤ 55.93
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-[bromo(phenyl)methyl]-4-(2-methylpropyl)benzene
CID 19010746
1-ethyl-4-(2-methylpropyl)benzene;methane;propane
CID 154659572
(4-ethylphenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 43109928
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
1-(4-ethylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480542
1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2,4-dimethylbenzene
CID 63436140
4-bromo-1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2-methylbenzene
CID 63436054
2-bromo-4-[bromo-[4-(2-methylpropyl)phenyl]methyl]-1-chlorobenzene
CID 107991588
2-bromo-5-[bromo-[4-(2-methylpropyl)phenyl]methyl]furan
CID 63435879
1-[(2S)-1-bromopropan-2-yl]-4-(2-methylpropyl)benzene
CID 11043315
ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 144724990
1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2,3-difluorobenzene
CID 63439256

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(4-ethylphenyl)methyl]-4-(2-methylpropyl)benzene?
The IUPAC name of 1-[bromo-(4-ethylphenyl)methyl]-4-(2-methylpropyl)benzene (CID 63435881) is 1-[bromo-(4-ethylphenyl)methyl]-4-(2-methylpropyl)benzene.
What is the SMILES notation for 1-[bromo-(4-ethylphenyl)methyl]-4-(2-methylpropyl)benzene?
The canonical SMILES for 1-[bromo-(4-ethylphenyl)methyl]-4-(2-methylpropyl)benzene is CCc1ccc(C(Br)c2ccc(CC(C)C)cc2)cc1.
What is the InChIKey of 1-[bromo-(4-ethylphenyl)methyl]-4-(2-methylpropyl)benzene?
The InChIKey is UKBXFZUVNCQEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Br/c1-4-15-5-9-17(10-6-15)19(20)18-11-7-16(8-12-18)13-14(2)3/h5-12,14,19H,4,13H2,1-3H3.
What are the key properties of 1-[bromo-(4-ethylphenyl)methyl]-4-(2-methylpropyl)benzene?
1-[bromo-(4-ethylphenyl)methyl]-4-(2-methylpropyl)benzene has a molecular weight of 331.30 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(4-ethylphenyl)methyl]-4-(2-methylpropyl)benzene is sourced from PubChem (CID 63435881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).