1-(1-tert-butylcyclohexyl)-4-chlorobenzene

C16H23Cl — CID 59590193

IUPAC1-(1-tert-butylcyclohexyl)-4-chlorobenzene
SMILESCC(C)(C)C1(c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C16H23Cl/c1-15(2,3)16(11-5-4-6-12-16)13-7-9-14(17)10-8-13/h7-10H,4-6,11-12H2,1-3H3
InChIKeyJBQGBTFUVDBRIO-UHFFFAOYSA-N
MW250.81 g/mol
LogP5.59
Rot. Bonds1

About 1-(1-tert-butylcyclohexyl)-4-chlorobenzene

1-(1-tert-butylcyclohexyl)-4-chlorobenzene (PubChem CID 59590193) has the molecular formula C16H23Cl and a molecular weight of 250.81 g/mol. Its IUPAC name is 1-(1-tert-butylcyclohexyl)-4-chlorobenzene.

Molecular Properties

Compound Name1-(1-tert-butylcyclohexyl)-4-chlorobenzene
PubChem CID59590193
Molecular FormulaC16H23Cl
Molecular Weight250.81 g/mol
Exact Mass250.15
IUPAC Name1-(1-tert-butylcyclohexyl)-4-chlorobenzene
SMILESCC(C)(C)C1(c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C16H23Cl/c1-15(2,3)16(11-5-4-6-12-16)13-7-9-14(17)10-8-13/h7-10H,4-6,11-12H2,1-3H3
InChIKeyJBQGBTFUVDBRIO-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.81
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylcyclohexyl)-4-chlorobenzene?
The IUPAC name of 1-(1-tert-butylcyclohexyl)-4-chlorobenzene (CID 59590193) is 1-(1-tert-butylcyclohexyl)-4-chlorobenzene.
What is the SMILES notation for 1-(1-tert-butylcyclohexyl)-4-chlorobenzene?
The canonical SMILES for 1-(1-tert-butylcyclohexyl)-4-chlorobenzene is CC(C)(C)C1(c2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of 1-(1-tert-butylcyclohexyl)-4-chlorobenzene?
The InChIKey is JBQGBTFUVDBRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl/c1-15(2,3)16(11-5-4-6-12-16)13-7-9-14(17)10-8-13/h7-10H,4-6,11-12H2,1-3H3.
What are the key properties of 1-(1-tert-butylcyclohexyl)-4-chlorobenzene?
1-(1-tert-butylcyclohexyl)-4-chlorobenzene has a molecular weight of 250.81 g/mol, XLogP of 5.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylcyclohexyl)-4-chlorobenzene is sourced from PubChem (CID 59590193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).