3,4-diethylphenol

C10H14O — CID 522880

IUPAC3,4-diethylphenol
SMILESCCc1ccc(O)cc1CC
InChIInChI=1S/C10H14O/c1-3-8-5-6-10(11)7-9(8)4-2/h5-7,11H,3-4H2,1-2H3
InChIKeySEAZSNZFNABEMJ-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.52
Rot. Bonds2

About 3,4-diethylphenol

3,4-diethylphenol (PubChem CID 522880) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 3,4-diethylphenol.

Molecular Properties

Compound Name3,4-diethylphenol
PubChem CID522880
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name3,4-diethylphenol
SMILESCCc1ccc(O)cc1CC
InChIInChI=1S/C10H14O/c1-3-8-5-6-10(11)7-9(8)4-2/h5-7,11H,3-4H2,1-2H3
InChIKeySEAZSNZFNABEMJ-UHFFFAOYSA-N
XLogP2.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethylphenol?
The IUPAC name of 3,4-diethylphenol (CID 522880) is 3,4-diethylphenol.
What is the SMILES notation for 3,4-diethylphenol?
The canonical SMILES for 3,4-diethylphenol is CCc1ccc(O)cc1CC.
What is the InChIKey of 3,4-diethylphenol?
The InChIKey is SEAZSNZFNABEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-3-8-5-6-10(11)7-9(8)4-2/h5-7,11H,3-4H2,1-2H3.
What are the key properties of 3,4-diethylphenol?
3,4-diethylphenol has a molecular weight of 150.22 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethylphenol is sourced from PubChem (CID 522880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).