2-chloro-1,3-di(propan-2-yl)benzene

C12H17Cl — CID 602477

IUPAC2-chloro-1,3-di(propan-2-yl)benzene
SMILESCC(C)c1cccc(C(C)C)c1Cl
InChIInChI=1S/C12H17Cl/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9H,1-4H3
InChIKeyJQFVRQDQQXRLBG-UHFFFAOYSA-N
MW196.72 g/mol
LogP4.59
Rot. Bonds2

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

2-chloro-1,3-di(propan-2-yl)benzene (PubChem CID 602477) has the molecular formula C12H17Cl and a molecular weight of 196.72 g/mol. Its IUPAC name is 2-chloro-1,3-di(propan-2-yl)benzene.

Molecular Properties

Compound Name2-chloro-1,3-di(propan-2-yl)benzene
PubChem CID602477
Molecular FormulaC12H17Cl
Molecular Weight196.72 g/mol
Exact Mass196.10
IUPAC Name2-chloro-1,3-di(propan-2-yl)benzene
SMILESCC(C)c1cccc(C(C)C)c1Cl
InChIInChI=1S/C12H17Cl/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9H,1-4H3
InChIKeyJQFVRQDQQXRLBG-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.72
LogP ≤ 54.59
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-di(propan-2-yl)benzene?
The IUPAC name of 2-chloro-1,3-di(propan-2-yl)benzene (CID 602477) is 2-chloro-1,3-di(propan-2-yl)benzene.
What is the SMILES notation for 2-chloro-1,3-di(propan-2-yl)benzene?
The canonical SMILES for 2-chloro-1,3-di(propan-2-yl)benzene is CC(C)c1cccc(C(C)C)c1Cl.
What is the InChIKey of 2-chloro-1,3-di(propan-2-yl)benzene?
The InChIKey is JQFVRQDQQXRLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9H,1-4H3.
What are the key properties of 2-chloro-1,3-di(propan-2-yl)benzene?
2-chloro-1,3-di(propan-2-yl)benzene has a molecular weight of 196.72 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3-di(propan-2-yl)benzene is sourced from PubChem (CID 602477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).