4-butylphenol;tungsten

C10H14OW — CID 174758928

IUPAC4-butylphenol;tungsten
SMILESCCCCc1ccc(O)cc1.[W]
InChIInChI=1S/C10H14O.W/c1-2-3-4-9-5-7-10(11)8-6-9;/h5-8,11H,2-4H2,1H3;
InChIKeyAOTNYADHNCTVFY-UHFFFAOYSA-N
MW334.06 g/mol
LogP2.73
Rot. Bonds3

About 4-butylphenol;tungsten

4-butylphenol;tungsten (PubChem CID 174758928) has the molecular formula C10H14OW and a molecular weight of 334.06 g/mol. Its IUPAC name is 4-butylphenol;tungsten.

Molecular Properties

Compound Name4-butylphenol;tungsten
PubChem CID174758928
Molecular FormulaC10H14OW
Molecular Weight334.06 g/mol
Exact Mass334.06
IUPAC Name4-butylphenol;tungsten
SMILESCCCCc1ccc(O)cc1.[W]
InChIInChI=1S/C10H14O.W/c1-2-3-4-9-5-7-10(11)8-6-9;/h5-8,11H,2-4H2,1H3;
InChIKeyAOTNYADHNCTVFY-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.06
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

lithium;4-butylphenol;hydride
CID 174758234
4-[2-(4-pentylphenyl)ethyl]phenol
CID 57152203
4-butylphenol;3,5-dibutylphenol
CID 159891553
tris(4-octylphenol);propane
CID 90866185
CID 162318522
CID 162318522
nickel;4-octylphenol
CID 87833867
4-butylphenol;propanoic acid
CID 70308169
4-butylphenol;phenol;4-propylphenol
CID 157420199
calcium;hydride;4-tetradecylphenol
CID 174582359
calcium;hydride;4-octylphenol
CID 173256756
barium(2+);hydride;4-nonylphenol
CID 173156845
bicyclo[3.1.0]hexa-1(6),2,4-triene;4-butylphenol
CID 174398804

Frequently Asked Questions

What is the IUPAC name of 4-butylphenol;tungsten?
The IUPAC name of 4-butylphenol;tungsten (CID 174758928) is 4-butylphenol;tungsten.
What is the SMILES notation for 4-butylphenol;tungsten?
The canonical SMILES for 4-butylphenol;tungsten is CCCCc1ccc(O)cc1.[W].
What is the InChIKey of 4-butylphenol;tungsten?
The InChIKey is AOTNYADHNCTVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.W/c1-2-3-4-9-5-7-10(11)8-6-9;/h5-8,11H,2-4H2,1H3;.
What are the key properties of 4-butylphenol;tungsten?
4-butylphenol;tungsten has a molecular weight of 334.06 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylphenol;tungsten is sourced from PubChem (CID 174758928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).