1-bromo-4-(2-methylpropyl)benzene

C10H13Br — CID 3789018

IUPAC1-bromo-4-(2-methylpropyl)benzene
SMILESCC(C)Cc1ccc(Br)cc1
InChIInChI=1S/C10H13Br/c1-8(2)7-9-3-5-10(11)6-4-9/h3-6,8H,7H2,1-2H3
InChIKeyBVBHVVRVSMBCPW-UHFFFAOYSA-N
MW213.12 g/mol
LogP3.65
Rot. Bonds2

About 1-bromo-4-(2-methylpropyl)benzene

1-bromo-4-(2-methylpropyl)benzene (PubChem CID 3789018) has the molecular formula C10H13Br and a molecular weight of 213.12 g/mol. Its IUPAC name is 1-bromo-4-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(2-methylpropyl)benzene
PubChem CID3789018
Molecular FormulaC10H13Br
Molecular Weight213.12 g/mol
Exact Mass212.02
IUPAC Name1-bromo-4-(2-methylpropyl)benzene
SMILESCC(C)Cc1ccc(Br)cc1
InChIInChI=1S/C10H13Br/c1-8(2)7-9-3-5-10(11)6-4-9/h3-6,8H,7H2,1-2H3
InChIKeyBVBHVVRVSMBCPW-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.12
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2-methylpropyl)benzene?
The IUPAC name of 1-bromo-4-(2-methylpropyl)benzene (CID 3789018) is 1-bromo-4-(2-methylpropyl)benzene.
What is the SMILES notation for 1-bromo-4-(2-methylpropyl)benzene?
The canonical SMILES for 1-bromo-4-(2-methylpropyl)benzene is CC(C)Cc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(2-methylpropyl)benzene?
The InChIKey is BVBHVVRVSMBCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br/c1-8(2)7-9-3-5-10(11)6-4-9/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-bromo-4-(2-methylpropyl)benzene?
1-bromo-4-(2-methylpropyl)benzene has a molecular weight of 213.12 g/mol, XLogP of 3.65, 2 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)benzene is sourced from PubChem (CID 3789018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).