1-bromo-2-[4-(2-methylpropyl)phenyl]benzene

C16H17Br — CID 145150198

IUPAC1-bromo-2-[4-(2-methylpropyl)phenyl]benzene
SMILESCC(C)Cc1ccc(-c2ccccc2Br)cc1
InChIInChI=1S/C16H17Br/c1-12(2)11-13-7-9-14(10-8-13)15-5-3-4-6-16(15)17/h3-10,12H,11H2,1-2H3
InChIKeyFTDLYDNTIQGFMT-UHFFFAOYSA-N
MW289.22 g/mol
LogP5.31
Rot. Bonds3

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

1-bromo-2-[4-(2-methylpropyl)phenyl]benzene (PubChem CID 145150198) has the molecular formula C16H17Br and a molecular weight of 289.22 g/mol. Its IUPAC name is 1-bromo-2-[4-(2-methylpropyl)phenyl]benzene.

Molecular Properties

Compound Name1-bromo-2-[4-(2-methylpropyl)phenyl]benzene
PubChem CID145150198
Molecular FormulaC16H17Br
Molecular Weight289.22 g/mol
Exact Mass288.05
IUPAC Name1-bromo-2-[4-(2-methylpropyl)phenyl]benzene
SMILESCC(C)Cc1ccc(-c2ccccc2Br)cc1
InChIInChI=1S/C16H17Br/c1-12(2)11-13-7-9-14(10-8-13)15-5-3-4-6-16(15)17/h3-10,12H,11H2,1-2H3
InChIKeyFTDLYDNTIQGFMT-UHFFFAOYSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.22
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[4-(2-methylpropyl)phenyl]benzene?
The IUPAC name of 1-bromo-2-[4-(2-methylpropyl)phenyl]benzene (CID 145150198) is 1-bromo-2-[4-(2-methylpropyl)phenyl]benzene.
What is the SMILES notation for 1-bromo-2-[4-(2-methylpropyl)phenyl]benzene?
The canonical SMILES for 1-bromo-2-[4-(2-methylpropyl)phenyl]benzene is CC(C)Cc1ccc(-c2ccccc2Br)cc1.
What is the InChIKey of 1-bromo-2-[4-(2-methylpropyl)phenyl]benzene?
The InChIKey is FTDLYDNTIQGFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br/c1-12(2)11-13-7-9-14(10-8-13)15-5-3-4-6-16(15)17/h3-10,12H,11H2,1-2H3.
What are the key properties of 1-bromo-2-[4-(2-methylpropyl)phenyl]benzene?
1-bromo-2-[4-(2-methylpropyl)phenyl]benzene has a molecular weight of 289.22 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[4-(2-methylpropyl)phenyl]benzene is sourced from PubChem (CID 145150198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).