1-bromo-4-(4-butylcyclohexyl)benzene

C16H23Br — CID 15458091

IUPAC1-bromo-4-(4-butylcyclohexyl)benzene
SMILESCCCCC1CCC(c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H23Br/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(17)12-10-15/h9-14H,2-8H2,1H3
InChIKeyNFLACFCPGPQOFJ-UHFFFAOYSA-N
MW295.26 g/mol
LogP5.91
Rot. Bonds4

About 1-bromo-4-(4-butylcyclohexyl)benzene

1-bromo-4-(4-butylcyclohexyl)benzene (PubChem CID 15458091) has the molecular formula C16H23Br and a molecular weight of 295.26 g/mol. Its IUPAC name is 1-bromo-4-(4-butylcyclohexyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(4-butylcyclohexyl)benzene
PubChem CID15458091
Molecular FormulaC16H23Br
Molecular Weight295.26 g/mol
Exact Mass294.10
IUPAC Name1-bromo-4-(4-butylcyclohexyl)benzene
SMILESCCCCC1CCC(c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H23Br/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(17)12-10-15/h9-14H,2-8H2,1H3
InChIKeyNFLACFCPGPQOFJ-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.26
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-butylcyclohexyl)benzene?
The IUPAC name of 1-bromo-4-(4-butylcyclohexyl)benzene (CID 15458091) is 1-bromo-4-(4-butylcyclohexyl)benzene.
What is the SMILES notation for 1-bromo-4-(4-butylcyclohexyl)benzene?
The canonical SMILES for 1-bromo-4-(4-butylcyclohexyl)benzene is CCCCC1CCC(c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-bromo-4-(4-butylcyclohexyl)benzene?
The InChIKey is NFLACFCPGPQOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Br/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(17)12-10-15/h9-14H,2-8H2,1H3.
What are the key properties of 1-bromo-4-(4-butylcyclohexyl)benzene?
1-bromo-4-(4-butylcyclohexyl)benzene has a molecular weight of 295.26 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-butylcyclohexyl)benzene is sourced from PubChem (CID 15458091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).