4-(3,5-dibutylphenyl)phenol

C20H26O — CID 175464122

IUPAC4-(3,5-dibutylphenyl)phenol
SMILESCCCCc1cc(CCCC)cc(-c2ccc(O)cc2)c1
InChIInChI=1S/C20H26O/c1-3-5-7-16-13-17(8-6-4-2)15-19(14-16)18-9-11-20(21)12-10-18/h9-15,21H,3-8H2,1-2H3
InChIKeyBZWPDISMOWTDHH-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.74
Rot. Bonds7

About 4-(3,5-dibutylphenyl)phenol

4-(3,5-dibutylphenyl)phenol (PubChem CID 175464122) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-(3,5-dibutylphenyl)phenol.

Molecular Properties

Compound Name4-(3,5-dibutylphenyl)phenol
PubChem CID175464122
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name4-(3,5-dibutylphenyl)phenol
SMILESCCCCc1cc(CCCC)cc(-c2ccc(O)cc2)c1
InChIInChI=1S/C20H26O/c1-3-5-7-16-13-17(8-6-4-2)15-19(14-16)18-9-11-20(21)12-10-18/h9-15,21H,3-8H2,1-2H3
InChIKeyBZWPDISMOWTDHH-UHFFFAOYSA-N
XLogP5.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-butylphenol;3,5-dibutylphenol
CID 159891553
3,5-dibutylphenol
CID 15936149
4-butylphenol;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene
CID 174345319
4-butylphenol;tungsten
CID 174758928
1,3-dibutyl-5-[4-(3,5-dibutylphenyl)phenyl]-2-[4-(4-phenylphenyl)phenyl]benzene
CID 90856384
4-[3-[4-(4-propylphenyl)phenyl]propyl]phenol
CID 59265255
bicyclo[3.1.0]hexa-1(6),2,4-triene;4-butylphenol
CID 174398804
lithium;4-butylphenol;hydride
CID 174758234
3-butyl-5-propylphenol
CID 69337384
4-[4-(4-butylphenyl)-3-methylphenyl]phenol
CID 71093934
1,3-didecyl-5-(3,5-didecylphenyl)benzene
CID 150677432
1-butyl-4-propan-2-ylbenzene;ethane;4-(4-hydroxyphenyl)phenol
CID 158673942

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dibutylphenyl)phenol?
The IUPAC name of 4-(3,5-dibutylphenyl)phenol (CID 175464122) is 4-(3,5-dibutylphenyl)phenol.
What is the SMILES notation for 4-(3,5-dibutylphenyl)phenol?
The canonical SMILES for 4-(3,5-dibutylphenyl)phenol is CCCCc1cc(CCCC)cc(-c2ccc(O)cc2)c1.
What is the InChIKey of 4-(3,5-dibutylphenyl)phenol?
The InChIKey is BZWPDISMOWTDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-3-5-7-16-13-17(8-6-4-2)15-19(14-16)18-9-11-20(21)12-10-18/h9-15,21H,3-8H2,1-2H3.
What are the key properties of 4-(3,5-dibutylphenyl)phenol?
4-(3,5-dibutylphenyl)phenol has a molecular weight of 282.43 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dibutylphenyl)phenol is sourced from PubChem (CID 175464122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).