1-chloro-4-cyclopropyl-2,5-di(propan-2-yl)benzene

C15H21Cl — CID 167302723

IUPAC1-chloro-4-cyclopropyl-2,5-di(propan-2-yl)benzene
SMILESCC(C)c1cc(C2CC2)c(C(C)C)cc1Cl
InChIInChI=1S/C15H21Cl/c1-9(2)12-8-15(16)13(10(3)4)7-14(12)11-5-6-11/h7-11H,5-6H2,1-4H3
InChIKeyYBJLYUNUWDJHAK-UHFFFAOYSA-N
MW236.79 g/mol
LogP5.46
Rot. Bonds3

About 1-chloro-4-cyclopropyl-2,5-di(propan-2-yl)benzene

1-chloro-4-cyclopropyl-2,5-di(propan-2-yl)benzene (PubChem CID 167302723) has the molecular formula C15H21Cl and a molecular weight of 236.79 g/mol. Its IUPAC name is 1-chloro-4-cyclopropyl-2,5-di(propan-2-yl)benzene.

Molecular Properties

Compound Name1-chloro-4-cyclopropyl-2,5-di(propan-2-yl)benzene
PubChem CID167302723
Molecular FormulaC15H21Cl
Molecular Weight236.79 g/mol
Exact Mass236.13
IUPAC Name1-chloro-4-cyclopropyl-2,5-di(propan-2-yl)benzene
SMILESCC(C)c1cc(C2CC2)c(C(C)C)cc1Cl
InChIInChI=1S/C15H21Cl/c1-9(2)12-8-15(16)13(10(3)4)7-14(12)11-5-6-11/h7-11H,5-6H2,1-4H3
InChIKeyYBJLYUNUWDJHAK-UHFFFAOYSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.79
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-cyclopropyl-2,5-di(propan-2-yl)benzene?
The IUPAC name of 1-chloro-4-cyclopropyl-2,5-di(propan-2-yl)benzene (CID 167302723) is 1-chloro-4-cyclopropyl-2,5-di(propan-2-yl)benzene.
What is the SMILES notation for 1-chloro-4-cyclopropyl-2,5-di(propan-2-yl)benzene?
The canonical SMILES for 1-chloro-4-cyclopropyl-2,5-di(propan-2-yl)benzene is CC(C)c1cc(C2CC2)c(C(C)C)cc1Cl.
What is the InChIKey of 1-chloro-4-cyclopropyl-2,5-di(propan-2-yl)benzene?
The InChIKey is YBJLYUNUWDJHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl/c1-9(2)12-8-15(16)13(10(3)4)7-14(12)11-5-6-11/h7-11H,5-6H2,1-4H3.
What are the key properties of 1-chloro-4-cyclopropyl-2,5-di(propan-2-yl)benzene?
1-chloro-4-cyclopropyl-2,5-di(propan-2-yl)benzene has a molecular weight of 236.79 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-cyclopropyl-2,5-di(propan-2-yl)benzene is sourced from PubChem (CID 167302723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).