1-chloro-2-ethylbenzene

C8H9Cl — CID 6995

IUPAC1-chloro-2-ethylbenzene
SMILESCCc1ccccc1Cl
InChIInChI=1S/C8H9Cl/c1-2-7-5-3-4-6-8(7)9/h3-6H,2H2,1H3
InChIKeyCVGAWKYSRYXQOI-UHFFFAOYSA-N
MW140.61 g/mol
LogP2.90
Rot. Bonds1

About 1-chloro-2-ethylbenzene

1-chloro-2-ethylbenzene (PubChem CID 6995) has the molecular formula C8H9Cl and a molecular weight of 140.61 g/mol. Its IUPAC name is 1-chloro-2-ethylbenzene.

Molecular Properties

Compound Name1-chloro-2-ethylbenzene
PubChem CID6995
Molecular FormulaC8H9Cl
Molecular Weight140.61 g/mol
Exact Mass140.04
IUPAC Name1-chloro-2-ethylbenzene
SMILESCCc1ccccc1Cl
InChIInChI=1S/C8H9Cl/c1-2-7-5-3-4-6-8(7)9/h3-6H,2H2,1H3
InChIKeyCVGAWKYSRYXQOI-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.61
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-ethylbenzene?
The IUPAC name of 1-chloro-2-ethylbenzene (CID 6995) is 1-chloro-2-ethylbenzene.
What is the SMILES notation for 1-chloro-2-ethylbenzene?
The canonical SMILES for 1-chloro-2-ethylbenzene is CCc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-ethylbenzene?
The InChIKey is CVGAWKYSRYXQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl/c1-2-7-5-3-4-6-8(7)9/h3-6H,2H2,1H3.
What are the key properties of 1-chloro-2-ethylbenzene?
1-chloro-2-ethylbenzene has a molecular weight of 140.61 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-ethylbenzene is sourced from PubChem (CID 6995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).