4-[3-[4-(3-hydroxy-3-methylbut-1-enyl)-3-methylphenyl]pentan-3-yl]-2-methylphenol

C24H32O2 — CID 69334425

IUPAC4-[3-[4-(3-hydroxy-3-methylbut-1-enyl)-3-methylphenyl]pentan-3-yl]-2-methylphenol
SMILESCCC(CC)(c1ccc(O)c(C)c1)c1ccc(C=CC(C)(C)O)c(C)c1
InChIInChI=1S/C24H32O2/c1-7-24(8-2,21-11-12-22(25)18(4)16-21)20-10-9-19(17(3)15-20)13-14-23(5,6)26/h9-16,25-26H,7-8H2,1-6H3
InChIKeyVJDYFUWAKVCROY-UHFFFAOYSA-N
MW352.52 g/mol
LogP5.90
Rot. Bonds6

About 4-[3-[4-(3-hydroxy-3-methylbut-1-enyl)-3-methylphenyl]pentan-3-yl]-2-methylphenol

4-[3-[4-(3-hydroxy-3-methylbut-1-enyl)-3-methylphenyl]pentan-3-yl]-2-methylphenol (PubChem CID 69334425) has the molecular formula C24H32O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is 4-[3-[4-(3-hydroxy-3-methylbut-1-enyl)-3-methylphenyl]pentan-3-yl]-2-methylphenol.

Molecular Properties

Compound Name4-[3-[4-(3-hydroxy-3-methylbut-1-enyl)-3-methylphenyl]pentan-3-yl]-2-methylphenol
PubChem CID69334425
Molecular FormulaC24H32O2
Molecular Weight352.52 g/mol
Exact Mass352.24
IUPAC Name4-[3-[4-(3-hydroxy-3-methylbut-1-enyl)-3-methylphenyl]pentan-3-yl]-2-methylphenol
SMILESCCC(CC)(c1ccc(O)c(C)c1)c1ccc(C=CC(C)(C)O)c(C)c1
InChIInChI=1S/C24H32O2/c1-7-24(8-2,21-11-12-22(25)18(4)16-21)20-10-9-19(17(3)15-20)13-14-23(5,6)26/h9-16,25-26H,7-8H2,1-6H3
InChIKeyVJDYFUWAKVCROY-UHFFFAOYSA-N
XLogP5.90
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(3-hydroxy-3-methylbut-1-enyl)-3-methylphenyl]pentan-3-yl]-2-methylphenol?
The IUPAC name of 4-[3-[4-(3-hydroxy-3-methylbut-1-enyl)-3-methylphenyl]pentan-3-yl]-2-methylphenol (CID 69334425) is 4-[3-[4-(3-hydroxy-3-methylbut-1-enyl)-3-methylphenyl]pentan-3-yl]-2-methylphenol.
What is the SMILES notation for 4-[3-[4-(3-hydroxy-3-methylbut-1-enyl)-3-methylphenyl]pentan-3-yl]-2-methylphenol?
The canonical SMILES for 4-[3-[4-(3-hydroxy-3-methylbut-1-enyl)-3-methylphenyl]pentan-3-yl]-2-methylphenol is CCC(CC)(c1ccc(O)c(C)c1)c1ccc(C=CC(C)(C)O)c(C)c1.
What is the InChIKey of 4-[3-[4-(3-hydroxy-3-methylbut-1-enyl)-3-methylphenyl]pentan-3-yl]-2-methylphenol?
The InChIKey is VJDYFUWAKVCROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O2/c1-7-24(8-2,21-11-12-22(25)18(4)16-21)20-10-9-19(17(3)15-20)13-14-23(5,6)26/h9-16,25-26H,7-8H2,1-6H3.
What are the key properties of 4-[3-[4-(3-hydroxy-3-methylbut-1-enyl)-3-methylphenyl]pentan-3-yl]-2-methylphenol?
4-[3-[4-(3-hydroxy-3-methylbut-1-enyl)-3-methylphenyl]pentan-3-yl]-2-methylphenol has a molecular weight of 352.52 g/mol, XLogP of 5.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(3-hydroxy-3-methylbut-1-enyl)-3-methylphenyl]pentan-3-yl]-2-methylphenol is sourced from PubChem (CID 69334425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).