4-[2-(4-hydroxy-2-propan-2-ylphenyl)butan-2-yl]-3-propan-2-ylphenol

C22H30O2 — CID 139772711

IUPAC4-[2-(4-hydroxy-2-propan-2-ylphenyl)butan-2-yl]-3-propan-2-ylphenol
SMILESCCC(C)(c1ccc(O)cc1C(C)C)c1ccc(O)cc1C(C)C
InChIInChI=1S/C22H30O2/c1-7-22(6,20-10-8-16(23)12-18(20)14(2)3)21-11-9-17(24)13-19(21)15(4)5/h8-15,23-24H,7H2,1-6H3
InChIKeyRQGPDGXUKLDUBH-UHFFFAOYSA-N
MW326.48 g/mol
LogP6.06
Rot. Bonds5

About 4-[2-(4-hydroxy-2-propan-2-ylphenyl)butan-2-yl]-3-propan-2-ylphenol

4-[2-(4-hydroxy-2-propan-2-ylphenyl)butan-2-yl]-3-propan-2-ylphenol (PubChem CID 139772711) has the molecular formula C22H30O2 and a molecular weight of 326.48 g/mol. Its IUPAC name is 4-[2-(4-hydroxy-2-propan-2-ylphenyl)butan-2-yl]-3-propan-2-ylphenol.

Molecular Properties

Compound Name4-[2-(4-hydroxy-2-propan-2-ylphenyl)butan-2-yl]-3-propan-2-ylphenol
PubChem CID139772711
Molecular FormulaC22H30O2
Molecular Weight326.48 g/mol
Exact Mass326.22
IUPAC Name4-[2-(4-hydroxy-2-propan-2-ylphenyl)butan-2-yl]-3-propan-2-ylphenol
SMILESCCC(C)(c1ccc(O)cc1C(C)C)c1ccc(O)cc1C(C)C
InChIInChI=1S/C22H30O2/c1-7-22(6,20-10-8-16(23)12-18(20)14(2)3)21-11-9-17(24)13-19(21)15(4)5/h8-15,23-24H,7H2,1-6H3
InChIKeyRQGPDGXUKLDUBH-UHFFFAOYSA-N
XLogP6.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[2-(4-hydroxy-2-propan-2-ylphenyl)butan-2-yl]-3-propan-2-ylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxy-2-propan-2-ylphenyl)butan-2-yl]-3-propan-2-ylphenol?
The IUPAC name of 4-[2-(4-hydroxy-2-propan-2-ylphenyl)butan-2-yl]-3-propan-2-ylphenol (CID 139772711) is 4-[2-(4-hydroxy-2-propan-2-ylphenyl)butan-2-yl]-3-propan-2-ylphenol.
What is the SMILES notation for 4-[2-(4-hydroxy-2-propan-2-ylphenyl)butan-2-yl]-3-propan-2-ylphenol?
The canonical SMILES for 4-[2-(4-hydroxy-2-propan-2-ylphenyl)butan-2-yl]-3-propan-2-ylphenol is CCC(C)(c1ccc(O)cc1C(C)C)c1ccc(O)cc1C(C)C.
What is the InChIKey of 4-[2-(4-hydroxy-2-propan-2-ylphenyl)butan-2-yl]-3-propan-2-ylphenol?
The InChIKey is RQGPDGXUKLDUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O2/c1-7-22(6,20-10-8-16(23)12-18(20)14(2)3)21-11-9-17(24)13-19(21)15(4)5/h8-15,23-24H,7H2,1-6H3.
What are the key properties of 4-[2-(4-hydroxy-2-propan-2-ylphenyl)butan-2-yl]-3-propan-2-ylphenol?
4-[2-(4-hydroxy-2-propan-2-ylphenyl)butan-2-yl]-3-propan-2-ylphenol has a molecular weight of 326.48 g/mol, XLogP of 6.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxy-2-propan-2-ylphenyl)butan-2-yl]-3-propan-2-ylphenol is sourced from PubChem (CID 139772711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).