2,3,4,5-tetra(butan-2-yl)phenol

C22H38O — CID 21315496

IUPAC2,3,4,5-tetra(butan-2-yl)phenol
SMILESCCC(C)c1cc(O)c(C(C)CC)c(C(C)CC)c1C(C)CC
InChIInChI=1S/C22H38O/c1-9-14(5)18-13-19(23)21(16(7)11-3)22(17(8)12-4)20(18)15(6)10-2/h13-17,23H,9-12H2,1-8H3
InChIKeyCBHPYQFMMHSJAU-UHFFFAOYSA-N
MW318.55 g/mol
LogP7.45
Rot. Bonds8

About 2,3,4,5-tetra(butan-2-yl)phenol

2,3,4,5-tetra(butan-2-yl)phenol (PubChem CID 21315496) has the molecular formula C22H38O and a molecular weight of 318.55 g/mol. Its IUPAC name is 2,3,4,5-tetra(butan-2-yl)phenol.

Molecular Properties

Compound Name2,3,4,5-tetra(butan-2-yl)phenol
PubChem CID21315496
Molecular FormulaC22H38O
Molecular Weight318.55 g/mol
Exact Mass318.29
IUPAC Name2,3,4,5-tetra(butan-2-yl)phenol
SMILESCCC(C)c1cc(O)c(C(C)CC)c(C(C)CC)c1C(C)CC
InChIInChI=1S/C22H38O/c1-9-14(5)18-13-19(23)21(16(7)11-3)22(17(8)12-4)20(18)15(6)10-2/h13-17,23H,9-12H2,1-8H3
InChIKeyCBHPYQFMMHSJAU-UHFFFAOYSA-N
XLogP7.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.55
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-butan-2-ylbenzene-1,2,4-triol
CID 22895392
benzene;2,3-di(butan-2-yl)phenol
CID 67178643
1,2,3,4,5,6-hexa(butan-2-yl)benzene
CID 21482675
2,3,6-tri(butan-2-yl)phenol
CID 101292764
4-butan-2-yl-3-methylphenol
CID 21413615
5-butan-2-yl-2-[(2S)-butan-2-yl]phenol
CID 71088611
2-butan-2-ylphenol;formaldehyde
CID 66765994
5-butan-2-yl-2-tert-butyl-4-fluorophenol
CID 118092191
4-butan-2-yl-2-chloro-5-methylphenol
CID 71372422
3-butan-2-yl-6-propan-2-ylbenzene-1,2-diol
CID 146417092
4-[[4-amino-3,5-di(butan-2-yl)phenyl]methyl]-2,6-di(butan-2-yl)aniline
CID 18538234
2-butan-2-yl-3-hydroxycycloprop-2-en-1-one
CID 139899713

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetra(butan-2-yl)phenol?
The IUPAC name of 2,3,4,5-tetra(butan-2-yl)phenol (CID 21315496) is 2,3,4,5-tetra(butan-2-yl)phenol.
What is the SMILES notation for 2,3,4,5-tetra(butan-2-yl)phenol?
The canonical SMILES for 2,3,4,5-tetra(butan-2-yl)phenol is CCC(C)c1cc(O)c(C(C)CC)c(C(C)CC)c1C(C)CC.
What is the InChIKey of 2,3,4,5-tetra(butan-2-yl)phenol?
The InChIKey is CBHPYQFMMHSJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O/c1-9-14(5)18-13-19(23)21(16(7)11-3)22(17(8)12-4)20(18)15(6)10-2/h13-17,23H,9-12H2,1-8H3.
What are the key properties of 2,3,4,5-tetra(butan-2-yl)phenol?
2,3,4,5-tetra(butan-2-yl)phenol has a molecular weight of 318.55 g/mol, XLogP of 7.45, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetra(butan-2-yl)phenol is sourced from PubChem (CID 21315496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).