1-chloro-2-propylbenzene

C9H11Cl — CID 519393

IUPAC1-chloro-2-propylbenzene
SMILESCCCc1ccccc1Cl
InChIInChI=1S/C9H11Cl/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7H,2,5H2,1H3
InChIKeyWRZSIHUUDJFHNY-UHFFFAOYSA-N
MW154.64 g/mol
LogP3.29
Rot. Bonds2

About 1-chloro-2-propylbenzene

1-chloro-2-propylbenzene (PubChem CID 519393) has the molecular formula C9H11Cl and a molecular weight of 154.64 g/mol. Its IUPAC name is 1-chloro-2-propylbenzene.

Molecular Properties

Compound Name1-chloro-2-propylbenzene
PubChem CID519393
Molecular FormulaC9H11Cl
Molecular Weight154.64 g/mol
Exact Mass154.05
IUPAC Name1-chloro-2-propylbenzene
SMILESCCCc1ccccc1Cl
InChIInChI=1S/C9H11Cl/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7H,2,5H2,1H3
InChIKeyWRZSIHUUDJFHNY-UHFFFAOYSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.64
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-propylbenzene?
The IUPAC name of 1-chloro-2-propylbenzene (CID 519393) is 1-chloro-2-propylbenzene.
What is the SMILES notation for 1-chloro-2-propylbenzene?
The canonical SMILES for 1-chloro-2-propylbenzene is CCCc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-propylbenzene?
The InChIKey is WRZSIHUUDJFHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7H,2,5H2,1H3.
What are the key properties of 1-chloro-2-propylbenzene?
1-chloro-2-propylbenzene has a molecular weight of 154.64 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-propylbenzene is sourced from PubChem (CID 519393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).