5-methyl-3-phenyl-2-propan-2-ylphenol

C16H18O — CID 70085358

IUPAC5-methyl-3-phenyl-2-propan-2-ylphenol
SMILESCc1cc(O)c(C(C)C)c(-c2ccccc2)c1
InChIInChI=1S/C16H18O/c1-11(2)16-14(9-12(3)10-15(16)17)13-7-5-4-6-8-13/h4-11,17H,1-3H3
InChIKeyYKCZBKDUNKPGBX-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.49
Rot. Bonds2

About 5-methyl-3-phenyl-2-propan-2-ylphenol

5-methyl-3-phenyl-2-propan-2-ylphenol (PubChem CID 70085358) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-methyl-3-phenyl-2-propan-2-ylphenol.

Molecular Properties

Compound Name5-methyl-3-phenyl-2-propan-2-ylphenol
PubChem CID70085358
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name5-methyl-3-phenyl-2-propan-2-ylphenol
SMILESCc1cc(O)c(C(C)C)c(-c2ccccc2)c1
InChIInChI=1S/C16H18O/c1-11(2)16-14(9-12(3)10-15(16)17)13-7-5-4-6-8-13/h4-11,17H,1-3H3
InChIKeyYKCZBKDUNKPGBX-UHFFFAOYSA-N
XLogP4.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-2-propan-2-ylphenol?
The IUPAC name of 5-methyl-3-phenyl-2-propan-2-ylphenol (CID 70085358) is 5-methyl-3-phenyl-2-propan-2-ylphenol.
What is the SMILES notation for 5-methyl-3-phenyl-2-propan-2-ylphenol?
The canonical SMILES for 5-methyl-3-phenyl-2-propan-2-ylphenol is Cc1cc(O)c(C(C)C)c(-c2ccccc2)c1.
What is the InChIKey of 5-methyl-3-phenyl-2-propan-2-ylphenol?
The InChIKey is YKCZBKDUNKPGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-11(2)16-14(9-12(3)10-15(16)17)13-7-5-4-6-8-13/h4-11,17H,1-3H3.
What are the key properties of 5-methyl-3-phenyl-2-propan-2-ylphenol?
5-methyl-3-phenyl-2-propan-2-ylphenol has a molecular weight of 226.32 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-2-propan-2-ylphenol is sourced from PubChem (CID 70085358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).