1-ethylnaphthalene

C12H12 — CID 14315

IUPAC1-ethylnaphthalene
SMILESCCc1cccc2ccccc12
InChIInChI=1S/C12H12/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-9H,2H2,1H3
InChIKeyZMXIYERNXPIYFR-UHFFFAOYSA-N
MW156.23 g/mol
LogP3.40
Rot. Bonds1

About 1-ethylnaphthalene

1-ethylnaphthalene (PubChem CID 14315) has the molecular formula C12H12 and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-ethylnaphthalene.

Molecular Properties

Compound Name1-ethylnaphthalene
PubChem CID14315
Molecular FormulaC12H12
Molecular Weight156.23 g/mol
Exact Mass156.09
IUPAC Name1-ethylnaphthalene
SMILESCCc1cccc2ccccc12
InChIInChI=1S/C12H12/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-9H,2H2,1H3
InChIKeyZMXIYERNXPIYFR-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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Frequently Asked Questions

What is the IUPAC name of 1-ethylnaphthalene?
The IUPAC name of 1-ethylnaphthalene (CID 14315) is 1-ethylnaphthalene.
What is the SMILES notation for 1-ethylnaphthalene?
The canonical SMILES for 1-ethylnaphthalene is CCc1cccc2ccccc12.
What is the InChIKey of 1-ethylnaphthalene?
The InChIKey is ZMXIYERNXPIYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-9H,2H2,1H3.
What are the key properties of 1-ethylnaphthalene?
1-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 1-ethylnaphthalene is sourced from PubChem (CID 14315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).