1-chloro-2-ethylnaphthalene

C12H11Cl — CID 19065467

IUPAC1-chloro-2-ethylnaphthalene
SMILESCCc1ccc2ccccc2c1Cl
InChIInChI=1S/C12H11Cl/c1-2-9-7-8-10-5-3-4-6-11(10)12(9)13/h3-8H,2H2,1H3
InChIKeyMRAXTVNTJAGQCS-UHFFFAOYSA-N
MW190.67 g/mol
LogP4.06
Rot. Bonds1

About 1-chloro-2-ethylnaphthalene

1-chloro-2-ethylnaphthalene (PubChem CID 19065467) has the molecular formula C12H11Cl and a molecular weight of 190.67 g/mol. Its IUPAC name is 1-chloro-2-ethylnaphthalene.

Molecular Properties

Compound Name1-chloro-2-ethylnaphthalene
PubChem CID19065467
Molecular FormulaC12H11Cl
Molecular Weight190.67 g/mol
Exact Mass190.05
IUPAC Name1-chloro-2-ethylnaphthalene
SMILESCCc1ccc2ccccc2c1Cl
InChIInChI=1S/C12H11Cl/c1-2-9-7-8-10-5-3-4-6-11(10)12(9)13/h3-8H,2H2,1H3
InChIKeyMRAXTVNTJAGQCS-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-chloro-2-ethylnaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-ethylnaphthalene?
The IUPAC name of 1-chloro-2-ethylnaphthalene (CID 19065467) is 1-chloro-2-ethylnaphthalene.
What is the SMILES notation for 1-chloro-2-ethylnaphthalene?
The canonical SMILES for 1-chloro-2-ethylnaphthalene is CCc1ccc2ccccc2c1Cl.
What is the InChIKey of 1-chloro-2-ethylnaphthalene?
The InChIKey is MRAXTVNTJAGQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl/c1-2-9-7-8-10-5-3-4-6-11(10)12(9)13/h3-8H,2H2,1H3.
What are the key properties of 1-chloro-2-ethylnaphthalene?
1-chloro-2-ethylnaphthalene has a molecular weight of 190.67 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-ethylnaphthalene is sourced from PubChem (CID 19065467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).