3,5-dibutylphenol

C14H22O — CID 15936149

IUPAC3,5-dibutylphenol
SMILESCCCCc1cc(O)cc(CCCC)c1
InChIInChI=1S/C14H22O/c1-3-5-7-12-9-13(8-6-4-2)11-14(15)10-12/h9-11,15H,3-8H2,1-2H3
InChIKeyHRUHVKFKXJGKBQ-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.08
Rot. Bonds6

About 3,5-dibutylphenol

3,5-dibutylphenol (PubChem CID 15936149) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 3,5-dibutylphenol.

Molecular Properties

Compound Name3,5-dibutylphenol
PubChem CID15936149
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name3,5-dibutylphenol
SMILESCCCCc1cc(O)cc(CCCC)c1
InChIInChI=1S/C14H22O/c1-3-5-7-12-9-13(8-6-4-2)11-14(15)10-12/h9-11,15H,3-8H2,1-2H3
InChIKeyHRUHVKFKXJGKBQ-UHFFFAOYSA-N
XLogP4.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-butyl-5-propylphenol
CID 69337384
4-butylphenol;3,5-dibutylphenol
CID 159891553
CID 175718629
CID 175718629
3-ethyl-5-pentylphenol
CID 130224031
5-icosylbenzene-1,3-diol
CID 15775324
5-pentacosylbenzene-1,3-diol
CID 159617875
3-butyl-5-trimethylsilylphenol
CID 135075796
3-butyl-5-methoxyphenol
CID 12836529
5-propylbenzene-1,3-diol
CID 3083600
1-butyl-3,5-di(tetradecyl)benzene
CID 91192270
4-(3,5-dibutylphenyl)phenol
CID 175464122
3-(3-hydroxy-5-pentylphenoxy)-5-pentylphenol
CID 22559423

Frequently Asked Questions

What is the IUPAC name of 3,5-dibutylphenol?
The IUPAC name of 3,5-dibutylphenol (CID 15936149) is 3,5-dibutylphenol.
What is the SMILES notation for 3,5-dibutylphenol?
The canonical SMILES for 3,5-dibutylphenol is CCCCc1cc(O)cc(CCCC)c1.
What is the InChIKey of 3,5-dibutylphenol?
The InChIKey is HRUHVKFKXJGKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-3-5-7-12-9-13(8-6-4-2)11-14(15)10-12/h9-11,15H,3-8H2,1-2H3.
What are the key properties of 3,5-dibutylphenol?
3,5-dibutylphenol has a molecular weight of 206.33 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibutylphenol is sourced from PubChem (CID 15936149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).