4-butylphenol;3,5-dibutylphenol

C24H36O2 — CID 159891553

IUPAC4-butylphenol;3,5-dibutylphenol
SMILESCCCCc1cc(O)cc(CCCC)c1.CCCCc1ccc(O)cc1
InChIInChI=1S/C14H22O.C10H14O/c1-3-5-7-12-9-13(8-6-4-2)11-14(15)10-12;1-2-3-4-9-5-7-10(11)8-6-9/h9-11,15H,3-8H2,1-2H3;5-8,11H,2-4H2,1H3
InChIKeyNUUWAAUVULJCMZ-UHFFFAOYSA-N
MW356.55 g/mol
LogP6.81
Rot. Bonds9

About 4-butylphenol;3,5-dibutylphenol

4-butylphenol;3,5-dibutylphenol (PubChem CID 159891553) has the molecular formula C24H36O2 and a molecular weight of 356.55 g/mol. Its IUPAC name is 4-butylphenol;3,5-dibutylphenol.

Molecular Properties

Compound Name4-butylphenol;3,5-dibutylphenol
PubChem CID159891553
Molecular FormulaC24H36O2
Molecular Weight356.55 g/mol
Exact Mass356.27
IUPAC Name4-butylphenol;3,5-dibutylphenol
SMILESCCCCc1cc(O)cc(CCCC)c1.CCCCc1ccc(O)cc1
InChIInChI=1S/C14H22O.C10H14O/c1-3-5-7-12-9-13(8-6-4-2)11-14(15)10-12;1-2-3-4-9-5-7-10(11)8-6-9/h9-11,15H,3-8H2,1-2H3;5-8,11H,2-4H2,1H3
InChIKeyNUUWAAUVULJCMZ-UHFFFAOYSA-N
XLogP6.81
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibutylphenol
CID 15936149
4-butylphenol;tungsten
CID 174758928
3-butyl-5-propylphenol
CID 69337384
lithium;4-butylphenol;hydride
CID 174758234
4-(3,5-dibutylphenyl)phenol
CID 175464122
3-ethyl-5-pentylphenol
CID 130224031
4-[2-(4-pentylphenyl)ethyl]phenol
CID 57152203
bicyclo[3.1.0]hexa-1(6),2,4-triene;4-butylphenol
CID 174398804
4-butylphenol;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene
CID 174345319
tris(4-octylphenol);propane
CID 90866185
CID 162318522
CID 162318522
nickel;4-octylphenol
CID 87833867

Frequently Asked Questions

What is the IUPAC name of 4-butylphenol;3,5-dibutylphenol?
The IUPAC name of 4-butylphenol;3,5-dibutylphenol (CID 159891553) is 4-butylphenol;3,5-dibutylphenol.
What is the SMILES notation for 4-butylphenol;3,5-dibutylphenol?
The canonical SMILES for 4-butylphenol;3,5-dibutylphenol is CCCCc1cc(O)cc(CCCC)c1.CCCCc1ccc(O)cc1.
What is the InChIKey of 4-butylphenol;3,5-dibutylphenol?
The InChIKey is NUUWAAUVULJCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O.C10H14O/c1-3-5-7-12-9-13(8-6-4-2)11-14(15)10-12;1-2-3-4-9-5-7-10(11)8-6-9/h9-11,15H,3-8H2,1-2H3;5-8,11H,2-4H2,1H3.
What are the key properties of 4-butylphenol;3,5-dibutylphenol?
4-butylphenol;3,5-dibutylphenol has a molecular weight of 356.55 g/mol, XLogP of 6.81, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylphenol;3,5-dibutylphenol is sourced from PubChem (CID 159891553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).