5-butan-2-yl-2-(4-butan-2-ylphenyl)phenol

C20H26O — CID 141260416

IUPAC5-butan-2-yl-2-(4-butan-2-ylphenyl)phenol
SMILESCCC(C)c1ccc(-c2ccc(C(C)CC)cc2O)cc1
InChIInChI=1S/C20H26O/c1-5-14(3)16-7-9-17(10-8-16)19-12-11-18(13-20(19)21)15(4)6-2/h7-15,21H,5-6H2,1-4H3
InChIKeyQLOHXGBUGJYZDE-UHFFFAOYSA-N
MW282.43 g/mol
LogP6.09
Rot. Bonds5

About 5-butan-2-yl-2-(4-butan-2-ylphenyl)phenol

5-butan-2-yl-2-(4-butan-2-ylphenyl)phenol (PubChem CID 141260416) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 5-butan-2-yl-2-(4-butan-2-ylphenyl)phenol.

Molecular Properties

Compound Name5-butan-2-yl-2-(4-butan-2-ylphenyl)phenol
PubChem CID141260416
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name5-butan-2-yl-2-(4-butan-2-ylphenyl)phenol
SMILESCCC(C)c1ccc(-c2ccc(C(C)CC)cc2O)cc1
InChIInChI=1S/C20H26O/c1-5-14(3)16-7-9-17(10-8-16)19-12-11-18(13-20(19)21)15(4)6-2/h7-15,21H,5-6H2,1-4H3
InChIKeyQLOHXGBUGJYZDE-UHFFFAOYSA-N
XLogP6.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-butan-2-yl-2-(4-butan-2-yl-2-hydroxyphenyl)phenol
CID 66659271
5-butan-2-yl-2-[(2S)-butan-2-yl]phenol
CID 71088611
4-[4-butan-2-yl-2-(1-phenylethyl)phenyl]phenol
CID 174821921
6-butan-2-ylnaphthalene-2,3-diol
CID 134463629
4-butan-2-yl-2-hydroxybenzoic acid
CID 54169876
4-butan-2-yl-2-hydroxybenzaldehyde
CID 10236044
4-butan-2-yl-2-methoxyphenol;methane
CID 158403359
3-(4-butan-2-ylphenyl)-4-methylbenzoic acid
CID 81476320
2-[4-[4-(N-(4-butan-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-5-methylbenzenesulfonic acid
CID 88869441
2,4,6-tris(4-butan-2-ylphenyl)-1,3,5-triazine
CID 58250690
2-(aminomethyl)-4-butan-2-ylphenol;hydrochloride
CID 21430763
4-[4-(4-butan-2-ylphenoxy)phenyl]phenol
CID 131968930

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-(4-butan-2-ylphenyl)phenol?
The IUPAC name of 5-butan-2-yl-2-(4-butan-2-ylphenyl)phenol (CID 141260416) is 5-butan-2-yl-2-(4-butan-2-ylphenyl)phenol.
What is the SMILES notation for 5-butan-2-yl-2-(4-butan-2-ylphenyl)phenol?
The canonical SMILES for 5-butan-2-yl-2-(4-butan-2-ylphenyl)phenol is CCC(C)c1ccc(-c2ccc(C(C)CC)cc2O)cc1.
What is the InChIKey of 5-butan-2-yl-2-(4-butan-2-ylphenyl)phenol?
The InChIKey is QLOHXGBUGJYZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-5-14(3)16-7-9-17(10-8-16)19-12-11-18(13-20(19)21)15(4)6-2/h7-15,21H,5-6H2,1-4H3.
What are the key properties of 5-butan-2-yl-2-(4-butan-2-ylphenyl)phenol?
5-butan-2-yl-2-(4-butan-2-ylphenyl)phenol has a molecular weight of 282.43 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-(4-butan-2-ylphenyl)phenol is sourced from PubChem (CID 141260416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).