1-chloro-4-propan-2-ylbenzene

C9H11Cl — CID 17493

IUPAC1-chloro-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(Cl)cc1
InChIInChI=1S/C9H11Cl/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,1-2H3
InChIKeyFHBSIIZALGOVLM-UHFFFAOYSA-N
MW154.64 g/mol
LogP3.46
Rot. Bonds1

About 1-chloro-4-propan-2-ylbenzene

1-chloro-4-propan-2-ylbenzene (PubChem CID 17493) has the molecular formula C9H11Cl and a molecular weight of 154.64 g/mol. Its IUPAC name is 1-chloro-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-chloro-4-propan-2-ylbenzene
PubChem CID17493
Molecular FormulaC9H11Cl
Molecular Weight154.64 g/mol
Exact Mass154.05
IUPAC Name1-chloro-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(Cl)cc1
InChIInChI=1S/C9H11Cl/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,1-2H3
InChIKeyFHBSIIZALGOVLM-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.64
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-propan-2-ylbenzene?
The IUPAC name of 1-chloro-4-propan-2-ylbenzene (CID 17493) is 1-chloro-4-propan-2-ylbenzene.
What is the SMILES notation for 1-chloro-4-propan-2-ylbenzene?
The canonical SMILES for 1-chloro-4-propan-2-ylbenzene is CC(C)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-propan-2-ylbenzene?
The InChIKey is FHBSIIZALGOVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,1-2H3.
What are the key properties of 1-chloro-4-propan-2-ylbenzene?
1-chloro-4-propan-2-ylbenzene has a molecular weight of 154.64 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-propan-2-ylbenzene is sourced from PubChem (CID 17493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).