2-ethylnaphthalene

C12H12 — CID 13652

IUPAC2-ethylnaphthalene
SMILESCCc1ccc2ccccc2c1
InChIInChI=1S/C12H12/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h3-9H,2H2,1H3
InChIKeyRJTJVVYSTUQWNI-UHFFFAOYSA-N
MW156.23 g/mol
LogP3.40
Rot. Bonds1

About 2-ethylnaphthalene

2-ethylnaphthalene (PubChem CID 13652) has the molecular formula C12H12 and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-ethylnaphthalene.

Molecular Properties

Compound Name2-ethylnaphthalene
PubChem CID13652
Molecular FormulaC12H12
Molecular Weight156.23 g/mol
Exact Mass156.09
IUPAC Name2-ethylnaphthalene
SMILESCCc1ccc2ccccc2c1
InChIInChI=1S/C12H12/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h3-9H,2H2,1H3
InChIKeyRJTJVVYSTUQWNI-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Naphthalene
CID 931
Benzo[a]pyrene
CID 2336
Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
1-Methylnaphthalene
CID 7002
Tetralin
CID 8404
1,2,4-Trimethylbenzene
CID 7247
BENZ(a)ANTHRACENE
CID 5954
Benzo(E)Pyrene
CID 9128
Acenaphthylene
CID 9161
Chrysene
CID 9171

Frequently Asked Questions

What is the IUPAC name of 2-ethylnaphthalene?
The IUPAC name of 2-ethylnaphthalene (CID 13652) is 2-ethylnaphthalene.
What is the SMILES notation for 2-ethylnaphthalene?
The canonical SMILES for 2-ethylnaphthalene is CCc1ccc2ccccc2c1.
What is the InChIKey of 2-ethylnaphthalene?
The InChIKey is RJTJVVYSTUQWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h3-9H,2H2,1H3.
What are the key properties of 2-ethylnaphthalene?
2-ethylnaphthalene has a molecular weight of 156.23 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylnaphthalene is sourced from PubChem (CID 13652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).