2-chloro-8-ethyl-1-methylnaphthalene

C13H13Cl — CID 164922444

IUPAC2-chloro-8-ethyl-1-methylnaphthalene
SMILESCCc1cccc2ccc(Cl)c(C)c12
InChIInChI=1S/C13H13Cl/c1-3-10-5-4-6-11-7-8-12(14)9(2)13(10)11/h4-8H,3H2,1-2H3
InChIKeyJHRRRCRITAUGJC-UHFFFAOYSA-N
MW204.70 g/mol
LogP4.36
Rot. Bonds1

About 2-chloro-8-ethyl-1-methylnaphthalene

2-chloro-8-ethyl-1-methylnaphthalene (PubChem CID 164922444) has the molecular formula C13H13Cl and a molecular weight of 204.70 g/mol. Its IUPAC name is 2-chloro-8-ethyl-1-methylnaphthalene.

Molecular Properties

Compound Name2-chloro-8-ethyl-1-methylnaphthalene
PubChem CID164922444
Molecular FormulaC13H13Cl
Molecular Weight204.70 g/mol
Exact Mass204.07
IUPAC Name2-chloro-8-ethyl-1-methylnaphthalene
SMILESCCc1cccc2ccc(Cl)c(C)c12
InChIInChI=1S/C13H13Cl/c1-3-10-5-4-6-11-7-8-12(14)9(2)13(10)11/h4-8H,3H2,1-2H3
InChIKeyJHRRRCRITAUGJC-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-ethylnaphthalen-1-yl)methanol
CID 59514335
1-ethylnaphthalene;pyrene
CID 174849884
8-chloro-1-ethyl-3-methylnaphthalene
CID 169255808
1-ethyl-9-methylidenephenalene
CID 149380156
1-(1-bromoethyl)-8-ethylnaphthalene
CID 174593653
2,3-diethylaniline;pyrene
CID 18406401
3,8-diethyl-1-methylnaphthalene
CID 57467772
1,2-dimethylnaphthalene;1-ethylnaphthalene
CID 158986916
8-ethylnaphthalene-1-sulfonic acid
CID 101314983
1-ethylpyrene;methane
CID 142201759
1-ethylpyrene;propane
CID 144711239
1-ethyl-7-methylnaphthalene
CID 12778771

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-ethyl-1-methylnaphthalene?
The IUPAC name of 2-chloro-8-ethyl-1-methylnaphthalene (CID 164922444) is 2-chloro-8-ethyl-1-methylnaphthalene.
What is the SMILES notation for 2-chloro-8-ethyl-1-methylnaphthalene?
The canonical SMILES for 2-chloro-8-ethyl-1-methylnaphthalene is CCc1cccc2ccc(Cl)c(C)c12.
What is the InChIKey of 2-chloro-8-ethyl-1-methylnaphthalene?
The InChIKey is JHRRRCRITAUGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl/c1-3-10-5-4-6-11-7-8-12(14)9(2)13(10)11/h4-8H,3H2,1-2H3.
What are the key properties of 2-chloro-8-ethyl-1-methylnaphthalene?
2-chloro-8-ethyl-1-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 2-chloro-8-ethyl-1-methylnaphthalene is sourced from PubChem (CID 164922444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).