8-chloro-1-ethyl-3-methylnaphthalene

C13H13Cl — CID 169255808

IUPAC8-chloro-1-ethyl-3-methylnaphthalene
SMILESCCc1cc(C)cc2cccc(Cl)c12
InChIInChI=1S/C13H13Cl/c1-3-10-7-9(2)8-11-5-4-6-12(14)13(10)11/h4-8H,3H2,1-2H3
InChIKeyOPFOLLJIHTVXLF-UHFFFAOYSA-N
MW204.70 g/mol
LogP4.36
Rot. Bonds1

About 8-chloro-1-ethyl-3-methylnaphthalene

8-chloro-1-ethyl-3-methylnaphthalene (PubChem CID 169255808) has the molecular formula C13H13Cl and a molecular weight of 204.70 g/mol. Its IUPAC name is 8-chloro-1-ethyl-3-methylnaphthalene.

Molecular Properties

Compound Name8-chloro-1-ethyl-3-methylnaphthalene
PubChem CID169255808
Molecular FormulaC13H13Cl
Molecular Weight204.70 g/mol
Exact Mass204.07
IUPAC Name8-chloro-1-ethyl-3-methylnaphthalene
SMILESCCc1cc(C)cc2cccc(Cl)c12
InChIInChI=1S/C13H13Cl/c1-3-10-7-9(2)8-11-5-4-6-12(14)13(10)11/h4-8H,3H2,1-2H3
InChIKeyOPFOLLJIHTVXLF-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

8-ethyl-1-ethynyl-2-fluoro-6-methylnaphthalene
CID 170619043
2-chloro-8-ethyl-1-methylnaphthalene
CID 164922444
3,8-diethyl-1-methylnaphthalene
CID 57467772
8-chloro-3-methyl-2H-isoquinolin-1-one
CID 114517583
ethane;1-ethyl-6-methylnaphthalene
CID 91003856
bis(1-ethyl-3,5-dimethylbenzene);naphthalene
CID 165102980
5-chloro-4-methylnaphthalen-2-ol;ethane
CID 162765839
2-chloro-3,8-diethyl-6-methylquinoline
CID 21061091
2-[(3,5-dimethylphenyl)methyl]-3-ethylnaphthalene
CID 159571856
1-ethyl-7-methylnaphthalene
CID 12778771
8-chloro-2-[2-(dimethylamino)ethyl]-3-ethylisoquinolin-1-one
CID 144823942
N-(2,6-diethyl-4-methylphenyl)-1-[6-[(2,6-diethyl-4-methylphenyl)iminomethyl]-2-pyridinyl]methanimine
CID 70011747

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-ethyl-3-methylnaphthalene?
The IUPAC name of 8-chloro-1-ethyl-3-methylnaphthalene (CID 169255808) is 8-chloro-1-ethyl-3-methylnaphthalene.
What is the SMILES notation for 8-chloro-1-ethyl-3-methylnaphthalene?
The canonical SMILES for 8-chloro-1-ethyl-3-methylnaphthalene is CCc1cc(C)cc2cccc(Cl)c12.
What is the InChIKey of 8-chloro-1-ethyl-3-methylnaphthalene?
The InChIKey is OPFOLLJIHTVXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl/c1-3-10-7-9(2)8-11-5-4-6-12(14)13(10)11/h4-8H,3H2,1-2H3.
What are the key properties of 8-chloro-1-ethyl-3-methylnaphthalene?
8-chloro-1-ethyl-3-methylnaphthalene has a molecular weight of 204.70 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-ethyl-3-methylnaphthalene is sourced from PubChem (CID 169255808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).