1-bromo-4-(cyclopentylmethyl)benzene

C12H15Br — CID 18754946

IUPAC1-bromo-4-(cyclopentylmethyl)benzene
SMILESBrc1ccc(CC2CCCC2)cc1
InChIInChI=1S/C12H15Br/c13-12-7-5-11(6-8-12)9-10-3-1-2-4-10/h5-8,10H,1-4,9H2
InChIKeySYDYTHFZTQLUGH-UHFFFAOYSA-N
MW239.16 g/mol
LogP4.18
Rot. Bonds2

About 1-bromo-4-(cyclopentylmethyl)benzene

1-bromo-4-(cyclopentylmethyl)benzene (PubChem CID 18754946) has the molecular formula C12H15Br and a molecular weight of 239.16 g/mol. Its IUPAC name is 1-bromo-4-(cyclopentylmethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(cyclopentylmethyl)benzene
PubChem CID18754946
Molecular FormulaC12H15Br
Molecular Weight239.16 g/mol
Exact Mass238.04
IUPAC Name1-bromo-4-(cyclopentylmethyl)benzene
SMILESBrc1ccc(CC2CCCC2)cc1
InChIInChI=1S/C12H15Br/c13-12-7-5-11(6-8-12)9-10-3-1-2-4-10/h5-8,10H,1-4,9H2
InChIKeySYDYTHFZTQLUGH-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(cyclopentylmethyl)benzene?
The IUPAC name of 1-bromo-4-(cyclopentylmethyl)benzene (CID 18754946) is 1-bromo-4-(cyclopentylmethyl)benzene.
What is the SMILES notation for 1-bromo-4-(cyclopentylmethyl)benzene?
The canonical SMILES for 1-bromo-4-(cyclopentylmethyl)benzene is Brc1ccc(CC2CCCC2)cc1.
What is the InChIKey of 1-bromo-4-(cyclopentylmethyl)benzene?
The InChIKey is SYDYTHFZTQLUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br/c13-12-7-5-11(6-8-12)9-10-3-1-2-4-10/h5-8,10H,1-4,9H2.
What are the key properties of 1-bromo-4-(cyclopentylmethyl)benzene?
1-bromo-4-(cyclopentylmethyl)benzene has a molecular weight of 239.16 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(cyclopentylmethyl)benzene is sourced from PubChem (CID 18754946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).