2-methyl-4-phenyl-5-propan-2-ylphenol

C16H18O — CID 174789166

IUPAC2-methyl-4-phenyl-5-propan-2-ylphenol
SMILESCc1cc(-c2ccccc2)c(C(C)C)cc1O
InChIInChI=1S/C16H18O/c1-11(2)14-10-16(17)12(3)9-15(14)13-7-5-4-6-8-13/h4-11,17H,1-3H3
InChIKeyMCKNOFHZBBLFJP-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.49
Rot. Bonds2

About 2-methyl-4-phenyl-5-propan-2-ylphenol

2-methyl-4-phenyl-5-propan-2-ylphenol (PubChem CID 174789166) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-methyl-4-phenyl-5-propan-2-ylphenol.

Molecular Properties

Compound Name2-methyl-4-phenyl-5-propan-2-ylphenol
PubChem CID174789166
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name2-methyl-4-phenyl-5-propan-2-ylphenol
SMILESCc1cc(-c2ccccc2)c(C(C)C)cc1O
InChIInChI=1S/C16H18O/c1-11(2)14-10-16(17)12(3)9-15(14)13-7-5-4-6-8-13/h4-11,17H,1-3H3
InChIKeyMCKNOFHZBBLFJP-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 2-methyl-4-phenyl-5-propan-2-ylphenol?
The IUPAC name of 2-methyl-4-phenyl-5-propan-2-ylphenol (CID 174789166) is 2-methyl-4-phenyl-5-propan-2-ylphenol.
What is the SMILES notation for 2-methyl-4-phenyl-5-propan-2-ylphenol?
The canonical SMILES for 2-methyl-4-phenyl-5-propan-2-ylphenol is Cc1cc(-c2ccccc2)c(C(C)C)cc1O.
What is the InChIKey of 2-methyl-4-phenyl-5-propan-2-ylphenol?
The InChIKey is MCKNOFHZBBLFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-11(2)14-10-16(17)12(3)9-15(14)13-7-5-4-6-8-13/h4-11,17H,1-3H3.
What are the key properties of 2-methyl-4-phenyl-5-propan-2-ylphenol?
2-methyl-4-phenyl-5-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 2-methyl-4-phenyl-5-propan-2-ylphenol is sourced from PubChem (CID 174789166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).