2-benzyl-3,4-diethyl-6-methylphenol

C18H22O — CID 71428370

IUPAC2-benzyl-3,4-diethyl-6-methylphenol
SMILESCCc1cc(C)c(O)c(Cc2ccccc2)c1CC
InChIInChI=1S/C18H22O/c1-4-15-11-13(3)18(19)17(16(15)5-2)12-14-9-7-6-8-10-14/h6-11,19H,4-5,12H2,1-3H3
InChIKeyKNXYHAKKRKFIPN-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.42
Rot. Bonds4

About 2-benzyl-3,4-diethyl-6-methylphenol

2-benzyl-3,4-diethyl-6-methylphenol (PubChem CID 71428370) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-benzyl-3,4-diethyl-6-methylphenol.

Molecular Properties

Compound Name2-benzyl-3,4-diethyl-6-methylphenol
PubChem CID71428370
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name2-benzyl-3,4-diethyl-6-methylphenol
SMILESCCc1cc(C)c(O)c(Cc2ccccc2)c1CC
InChIInChI=1S/C18H22O/c1-4-15-11-13(3)18(19)17(16(15)5-2)12-14-9-7-6-8-10-14/h6-11,19H,4-5,12H2,1-3H3
InChIKeyKNXYHAKKRKFIPN-UHFFFAOYSA-N
XLogP4.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3,4-diethyl-6-methylphenol?
The IUPAC name of 2-benzyl-3,4-diethyl-6-methylphenol (CID 71428370) is 2-benzyl-3,4-diethyl-6-methylphenol.
What is the SMILES notation for 2-benzyl-3,4-diethyl-6-methylphenol?
The canonical SMILES for 2-benzyl-3,4-diethyl-6-methylphenol is CCc1cc(C)c(O)c(Cc2ccccc2)c1CC.
What is the InChIKey of 2-benzyl-3,4-diethyl-6-methylphenol?
The InChIKey is KNXYHAKKRKFIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-4-15-11-13(3)18(19)17(16(15)5-2)12-14-9-7-6-8-10-14/h6-11,19H,4-5,12H2,1-3H3.
What are the key properties of 2-benzyl-3,4-diethyl-6-methylphenol?
2-benzyl-3,4-diethyl-6-methylphenol has a molecular weight of 254.37 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3,4-diethyl-6-methylphenol is sourced from PubChem (CID 71428370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).