naphthalene

C10H8 — CID 10240860

IUPACnaphthalene
SMILESc1c[13cH][13c]2[13cH][13cH][13cH][13cH][13c]2[13cH]1
InChIInChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H/i1+1,2+1,5+1,6+1,7+1,8+1,9+1,10+1
InChIKeyUFWIBTONFRDIAS-SZLRDPOFSA-N
MW136.11 g/mol
LogP2.84
Rot. Bonds

About naphthalene

naphthalene (PubChem CID 10240860) has the molecular formula C10H8 and a molecular weight of 136.11 g/mol. Its IUPAC name is naphthalene.

Molecular Properties

Compound Namenaphthalene
PubChem CID10240860
Molecular FormulaC10H8
Molecular Weight136.11 g/mol
Exact Mass136.09
IUPAC Namenaphthalene
SMILESc1c[13cH][13c]2[13cH][13cH][13cH][13cH][13c]2[13cH]1
InChIInChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H/i1+1,2+1,5+1,6+1,7+1,8+1,9+1,10+1
InChIKeyUFWIBTONFRDIAS-SZLRDPOFSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.11
LogP ≤ 52.84
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 10240860) is naphthalene.
What is the SMILES notation for naphthalene?
The canonical SMILES for naphthalene is c1c[13cH][13c]2[13cH][13cH][13cH][13cH][13c]2[13cH]1.
What is the InChIKey of naphthalene?
The InChIKey is UFWIBTONFRDIAS-SZLRDPOFSA-N. The full InChI is InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H/i1+1,2+1,5+1,6+1,7+1,8+1,9+1,10+1.
What are the key properties of naphthalene?
naphthalene has a molecular weight of 136.11 g/mol, XLogP of 2.84, 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 10240860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).