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

C20H26O2 — CID 66659271

IUPAC5-butan-2-yl-2-(4-butan-2-yl-2-hydroxyphenyl)phenol
SMILESCCC(C)c1ccc(-c2ccc(C(C)CC)cc2O)c(O)c1
InChIInChI=1S/C20H26O2/c1-5-13(3)15-7-9-17(19(21)11-15)18-10-8-16(12-20(18)22)14(4)6-2/h7-14,21-22H,5-6H2,1-4H3
InChIKeyIIDUXIDVWHJVEQ-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.79
Rot. Bonds5

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

5-butan-2-yl-2-(4-butan-2-yl-2-hydroxyphenyl)phenol (PubChem CID 66659271) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 5-butan-2-yl-2-(4-butan-2-yl-2-hydroxyphenyl)phenol.

Molecular Properties

Compound Name5-butan-2-yl-2-(4-butan-2-yl-2-hydroxyphenyl)phenol
PubChem CID66659271
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name5-butan-2-yl-2-(4-butan-2-yl-2-hydroxyphenyl)phenol
SMILESCCC(C)c1ccc(-c2ccc(C(C)CC)cc2O)c(O)c1
InChIInChI=1S/C20H26O2/c1-5-13(3)15-7-9-17(19(21)11-15)18-10-8-16(12-20(18)22)14(4)6-2/h7-14,21-22H,5-6H2,1-4H3
InChIKeyIIDUXIDVWHJVEQ-UHFFFAOYSA-N
XLogP5.79
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-2-(4-butan-2-ylphenyl)phenol
CID 141260416
5-butan-2-yl-2-[(2S)-butan-2-yl]phenol
CID 71088611
6-butan-2-ylnaphthalene-2,3-diol
CID 134463629
4-butan-2-yl-2-hydroxybenzaldehyde
CID 10236044
4-butan-2-yl-2-hydroxybenzoic acid
CID 54169876
4-butan-2-yl-2-methoxyphenol;methane
CID 158403359
2-(aminomethyl)-4-butan-2-ylphenol;hydrochloride
CID 21430763
4-butan-2-yl-2-(methoxymethyl)phenol;ethane
CID 145144521
4-butan-2-yl-1,2-dichlorobenzene
CID 22095706
4-[(2R)-butan-2-yl]-1,2-dichlorobenzene
CID 118120399
4-butan-2-yl-2-cyclohexylphenol
CID 21489929
4-[4-butan-2-yl-2-(1-phenylethyl)phenyl]phenol
CID 174821921

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-(4-butan-2-yl-2-hydroxyphenyl)phenol?
The IUPAC name of 5-butan-2-yl-2-(4-butan-2-yl-2-hydroxyphenyl)phenol (CID 66659271) is 5-butan-2-yl-2-(4-butan-2-yl-2-hydroxyphenyl)phenol.
What is the SMILES notation for 5-butan-2-yl-2-(4-butan-2-yl-2-hydroxyphenyl)phenol?
The canonical SMILES for 5-butan-2-yl-2-(4-butan-2-yl-2-hydroxyphenyl)phenol is CCC(C)c1ccc(-c2ccc(C(C)CC)cc2O)c(O)c1.
What is the InChIKey of 5-butan-2-yl-2-(4-butan-2-yl-2-hydroxyphenyl)phenol?
The InChIKey is IIDUXIDVWHJVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-5-13(3)15-7-9-17(19(21)11-15)18-10-8-16(12-20(18)22)14(4)6-2/h7-14,21-22H,5-6H2,1-4H3.
What are the key properties of 5-butan-2-yl-2-(4-butan-2-yl-2-hydroxyphenyl)phenol?
5-butan-2-yl-2-(4-butan-2-yl-2-hydroxyphenyl)phenol has a molecular weight of 298.43 g/mol, XLogP of 5.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-(4-butan-2-yl-2-hydroxyphenyl)phenol is sourced from PubChem (CID 66659271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).