5-[(4-ethylphenyl)methyl]-2-methylphenol

C16H18O — CID 54074755

IUPAC5-[(4-ethylphenyl)methyl]-2-methylphenol
SMILESCCc1ccc(Cc2ccc(C)c(O)c2)cc1
InChIInChI=1S/C16H18O/c1-3-13-6-8-14(9-7-13)10-15-5-4-12(2)16(17)11-15/h4-9,11,17H,3,10H2,1-2H3
InChIKeyMIXDPYDIASDYAE-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.85
Rot. Bonds3

About 5-[(4-ethylphenyl)methyl]-2-methylphenol

5-[(4-ethylphenyl)methyl]-2-methylphenol (PubChem CID 54074755) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-[(4-ethylphenyl)methyl]-2-methylphenol.

Molecular Properties

Compound Name5-[(4-ethylphenyl)methyl]-2-methylphenol
PubChem CID54074755
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name5-[(4-ethylphenyl)methyl]-2-methylphenol
SMILESCCc1ccc(Cc2ccc(C)c(O)c2)cc1
InChIInChI=1S/C16H18O/c1-3-13-6-8-14(9-7-13)10-15-5-4-12(2)16(17)11-15/h4-9,11,17H,3,10H2,1-2H3
InChIKeyMIXDPYDIASDYAE-UHFFFAOYSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylphenyl)methyl]-2-methylphenol?
The IUPAC name of 5-[(4-ethylphenyl)methyl]-2-methylphenol (CID 54074755) is 5-[(4-ethylphenyl)methyl]-2-methylphenol.
What is the SMILES notation for 5-[(4-ethylphenyl)methyl]-2-methylphenol?
The canonical SMILES for 5-[(4-ethylphenyl)methyl]-2-methylphenol is CCc1ccc(Cc2ccc(C)c(O)c2)cc1.
What is the InChIKey of 5-[(4-ethylphenyl)methyl]-2-methylphenol?
The InChIKey is MIXDPYDIASDYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-3-13-6-8-14(9-7-13)10-15-5-4-12(2)16(17)11-15/h4-9,11,17H,3,10H2,1-2H3.
What are the key properties of 5-[(4-ethylphenyl)methyl]-2-methylphenol?
5-[(4-ethylphenyl)methyl]-2-methylphenol has a molecular weight of 226.32 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylphenyl)methyl]-2-methylphenol is sourced from PubChem (CID 54074755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).