2-butan-2-yl-4-[2-(3-butan-2-yl-4-hydroxyphenyl)propan-2-yl]phenol

C23H32O2 — CID 11439236

IUPAC2-butan-2-yl-4-[2-(3-butan-2-yl-4-hydroxyphenyl)propan-2-yl]phenol
SMILESCCC(C)c1cc(C(C)(C)c2ccc(O)c(C(C)CC)c2)ccc1O
InChIInChI=1S/C23H32O2/c1-7-15(3)19-13-17(9-11-21(19)24)23(5,6)18-10-12-22(25)20(14-18)16(4)8-2/h9-16,24-25H,7-8H2,1-6H3
InChIKeyXCUMMFDPFFDQEX-UHFFFAOYSA-N
MW340.51 g/mol
LogP6.45
Rot. Bonds6

About 2-butan-2-yl-4-[2-(3-butan-2-yl-4-hydroxyphenyl)propan-2-yl]phenol

2-butan-2-yl-4-[2-(3-butan-2-yl-4-hydroxyphenyl)propan-2-yl]phenol (PubChem CID 11439236) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 2-butan-2-yl-4-[2-(3-butan-2-yl-4-hydroxyphenyl)propan-2-yl]phenol.

Molecular Properties

Compound Name2-butan-2-yl-4-[2-(3-butan-2-yl-4-hydroxyphenyl)propan-2-yl]phenol
PubChem CID11439236
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Name2-butan-2-yl-4-[2-(3-butan-2-yl-4-hydroxyphenyl)propan-2-yl]phenol
SMILESCCC(C)c1cc(C(C)(C)c2ccc(O)c(C(C)CC)c2)ccc1O
InChIInChI=1S/C23H32O2/c1-7-15(3)19-13-17(9-11-21(19)24)23(5,6)18-10-12-22(25)20(14-18)16(4)8-2/h9-16,24-25H,7-8H2,1-6H3
InChIKeyXCUMMFDPFFDQEX-UHFFFAOYSA-N
XLogP6.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-4-[2-(3-butan-2-yl-4-hydroxyphenyl)propan-2-yl]phenol?
The IUPAC name of 2-butan-2-yl-4-[2-(3-butan-2-yl-4-hydroxyphenyl)propan-2-yl]phenol (CID 11439236) is 2-butan-2-yl-4-[2-(3-butan-2-yl-4-hydroxyphenyl)propan-2-yl]phenol.
What is the SMILES notation for 2-butan-2-yl-4-[2-(3-butan-2-yl-4-hydroxyphenyl)propan-2-yl]phenol?
The canonical SMILES for 2-butan-2-yl-4-[2-(3-butan-2-yl-4-hydroxyphenyl)propan-2-yl]phenol is CCC(C)c1cc(C(C)(C)c2ccc(O)c(C(C)CC)c2)ccc1O.
What is the InChIKey of 2-butan-2-yl-4-[2-(3-butan-2-yl-4-hydroxyphenyl)propan-2-yl]phenol?
The InChIKey is XCUMMFDPFFDQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2/c1-7-15(3)19-13-17(9-11-21(19)24)23(5,6)18-10-12-22(25)20(14-18)16(4)8-2/h9-16,24-25H,7-8H2,1-6H3.
What are the key properties of 2-butan-2-yl-4-[2-(3-butan-2-yl-4-hydroxyphenyl)propan-2-yl]phenol?
2-butan-2-yl-4-[2-(3-butan-2-yl-4-hydroxyphenyl)propan-2-yl]phenol has a molecular weight of 340.51 g/mol, XLogP of 6.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4-[2-(3-butan-2-yl-4-hydroxyphenyl)propan-2-yl]phenol is sourced from PubChem (CID 11439236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).