2-chloro-1,3,5-tri(propan-2-yl)benzene

C15H23Cl — CID 614074

IUPAC2-chloro-1,3,5-tri(propan-2-yl)benzene
SMILESCC(C)c1cc(C(C)C)c(Cl)c(C(C)C)c1
InChIInChI=1S/C15H23Cl/c1-9(2)12-7-13(10(3)4)15(16)14(8-12)11(5)6/h7-11H,1-6H3
InChIKeyVEKXJSFDURZEGS-UHFFFAOYSA-N
MW238.80 g/mol
LogP5.71
Rot. Bonds3

About 2-chloro-1,3,5-tri(propan-2-yl)benzene

2-chloro-1,3,5-tri(propan-2-yl)benzene (PubChem CID 614074) has the molecular formula C15H23Cl and a molecular weight of 238.80 g/mol. Its IUPAC name is 2-chloro-1,3,5-tri(propan-2-yl)benzene.

Molecular Properties

Compound Name2-chloro-1,3,5-tri(propan-2-yl)benzene
PubChem CID614074
Molecular FormulaC15H23Cl
Molecular Weight238.80 g/mol
Exact Mass238.15
IUPAC Name2-chloro-1,3,5-tri(propan-2-yl)benzene
SMILESCC(C)c1cc(C(C)C)c(Cl)c(C(C)C)c1
InChIInChI=1S/C15H23Cl/c1-9(2)12-7-13(10(3)4)15(16)14(8-12)11(5)6/h7-11H,1-6H3
InChIKeyVEKXJSFDURZEGS-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.80
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,3,5-tri(propan-2-yl)benzene?
The IUPAC name of 2-chloro-1,3,5-tri(propan-2-yl)benzene (CID 614074) is 2-chloro-1,3,5-tri(propan-2-yl)benzene.
What is the SMILES notation for 2-chloro-1,3,5-tri(propan-2-yl)benzene?
The canonical SMILES for 2-chloro-1,3,5-tri(propan-2-yl)benzene is CC(C)c1cc(C(C)C)c(Cl)c(C(C)C)c1.
What is the InChIKey of 2-chloro-1,3,5-tri(propan-2-yl)benzene?
The InChIKey is VEKXJSFDURZEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl/c1-9(2)12-7-13(10(3)4)15(16)14(8-12)11(5)6/h7-11H,1-6H3.
What are the key properties of 2-chloro-1,3,5-tri(propan-2-yl)benzene?
2-chloro-1,3,5-tri(propan-2-yl)benzene has a molecular weight of 238.80 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3,5-tri(propan-2-yl)benzene is sourced from PubChem (CID 614074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).