2-octylphenol;tungsten

C14H22OW — CID 157237523

IUPAC2-octylphenol;tungsten
SMILESCCCCCCCCc1ccccc1O.[W]
InChIInChI=1S/C14H22O.W/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15;/h8-9,11-12,15H,2-7,10H2,1H3;
InChIKeyAUUVJHTZAHJATM-UHFFFAOYSA-N
MW390.17 g/mol
LogP4.29
Rot. Bonds7

About 2-octylphenol;tungsten

2-octylphenol;tungsten (PubChem CID 157237523) has the molecular formula C14H22OW and a molecular weight of 390.17 g/mol. Its IUPAC name is 2-octylphenol;tungsten.

Molecular Properties

Compound Name2-octylphenol;tungsten
PubChem CID157237523
Molecular FormulaC14H22OW
Molecular Weight390.17 g/mol
Exact Mass390.12
IUPAC Name2-octylphenol;tungsten
SMILESCCCCCCCCc1ccccc1O.[W]
InChIInChI=1S/C14H22O.W/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15;/h8-9,11-12,15H,2-7,10H2,1H3;
InChIKeyAUUVJHTZAHJATM-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.17
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-dodecylphenol
CID 160834917
CID 158595082
CID 158595082
CID 69025009
CID 69025009
lithium;2-dodecylphenol;hydride
CID 174657819
ethene;2-nonylphenol
CID 66616289
disodium;hydride;2-nonylphenol
CID 175531956
2-decylphenol;hydrazine
CID 159983030
formaldehyde;2-octadecylphenol
CID 67830879
formaldehyde;2-nonylphenol;2-octylphenol
CID 175344349
tris(2-nonylphenol);phosphite
CID 21116114
carbonic acid;bis(2-nonylphenol)
CID 69221300
2-nonylphenol;pentan-1-ol
CID 70367302

Frequently Asked Questions

What is the IUPAC name of 2-octylphenol;tungsten?
The IUPAC name of 2-octylphenol;tungsten (CID 157237523) is 2-octylphenol;tungsten.
What is the SMILES notation for 2-octylphenol;tungsten?
The canonical SMILES for 2-octylphenol;tungsten is CCCCCCCCc1ccccc1O.[W].
What is the InChIKey of 2-octylphenol;tungsten?
The InChIKey is AUUVJHTZAHJATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O.W/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15;/h8-9,11-12,15H,2-7,10H2,1H3;.
What are the key properties of 2-octylphenol;tungsten?
2-octylphenol;tungsten has a molecular weight of 390.17 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octylphenol;tungsten is sourced from PubChem (CID 157237523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).