naphthalene

C30H24 — CID 21288458

IUPACnaphthalene
SMILESc1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1
InChIInChI=1S/3C10H8/c3*1-2-6-10-8-4-3-7-9(10)5-1/h3*1-8H
InChIKeyCFIIDJLJXNZOSO-UHFFFAOYSA-N
MW384.52 g/mol
LogP8.52
Rot. Bonds

About naphthalene

naphthalene (PubChem CID 21288458) has the molecular formula C30H24 and a molecular weight of 384.52 g/mol. Its IUPAC name is naphthalene.

Molecular Properties

Compound Namenaphthalene
PubChem CID21288458
Molecular FormulaC30H24
Molecular Weight384.52 g/mol
Exact Mass384.19
IUPAC Namenaphthalene
SMILESc1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1
InChIInChI=1S/3C10H8/c3*1-2-6-10-8-4-3-7-9(10)5-1/h3*1-8H
InChIKeyCFIIDJLJXNZOSO-UHFFFAOYSA-N
XLogP8.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of naphthalene?
The IUPAC name of naphthalene (CID 21288458) is naphthalene.
What is the SMILES notation for naphthalene?
The canonical SMILES for naphthalene is c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.
What is the InChIKey of naphthalene?
The InChIKey is CFIIDJLJXNZOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H8/c3*1-2-6-10-8-4-3-7-9(10)5-1/h3*1-8H.
What are the key properties of naphthalene?
naphthalene has a molecular weight of 384.52 g/mol, XLogP of 8.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene is sourced from PubChem (CID 21288458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).