2-ethylphenol

C8H10O — CID 6997

IUPAC2-ethylphenol
SMILESCCc1ccccc1O
InChIInChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3
InChIKeyIXQGCWUGDFDQMF-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.95
Rot. Bonds1

About 2-ethylphenol

2-ethylphenol (PubChem CID 6997) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 2-ethylphenol.

Molecular Properties

Compound Name2-ethylphenol
PubChem CID6997
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name2-ethylphenol
SMILESCCc1ccccc1O
InChIInChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3
InChIKeyIXQGCWUGDFDQMF-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethylphenol?
The IUPAC name of 2-ethylphenol (CID 6997) is 2-ethylphenol.
What is the SMILES notation for 2-ethylphenol?
The canonical SMILES for 2-ethylphenol is CCc1ccccc1O.
What is the InChIKey of 2-ethylphenol?
The InChIKey is IXQGCWUGDFDQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3.
What are the key properties of 2-ethylphenol?
2-ethylphenol has a molecular weight of 122.17 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylphenol is sourced from PubChem (CID 6997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).