3-ethyl-2-(2-ethyl-4-hydroxyphenyl)phenol

C16H18O2 — CID 101302728

IUPAC3-ethyl-2-(2-ethyl-4-hydroxyphenyl)phenol
SMILESCCc1cc(O)ccc1-c1c(O)cccc1CC
InChIInChI=1S/C16H18O2/c1-3-11-6-5-7-15(18)16(11)14-9-8-13(17)10-12(14)4-2/h5-10,17-18H,3-4H2,1-2H3
InChIKeyHQLQJWLFJUSDEE-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.89
Rot. Bonds3

About 3-ethyl-2-(2-ethyl-4-hydroxyphenyl)phenol

3-ethyl-2-(2-ethyl-4-hydroxyphenyl)phenol (PubChem CID 101302728) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-ethyl-2-(2-ethyl-4-hydroxyphenyl)phenol.

Molecular Properties

Compound Name3-ethyl-2-(2-ethyl-4-hydroxyphenyl)phenol
PubChem CID101302728
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name3-ethyl-2-(2-ethyl-4-hydroxyphenyl)phenol
SMILESCCc1cc(O)ccc1-c1c(O)cccc1CC
InChIInChI=1S/C16H18O2/c1-3-11-6-5-7-15(18)16(11)14-9-8-13(17)10-12(14)4-2/h5-10,17-18H,3-4H2,1-2H3
InChIKeyHQLQJWLFJUSDEE-UHFFFAOYSA-N
XLogP3.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(2-ethyl-4-hydroxyphenyl)phenol?
The IUPAC name of 3-ethyl-2-(2-ethyl-4-hydroxyphenyl)phenol (CID 101302728) is 3-ethyl-2-(2-ethyl-4-hydroxyphenyl)phenol.
What is the SMILES notation for 3-ethyl-2-(2-ethyl-4-hydroxyphenyl)phenol?
The canonical SMILES for 3-ethyl-2-(2-ethyl-4-hydroxyphenyl)phenol is CCc1cc(O)ccc1-c1c(O)cccc1CC.
What is the InChIKey of 3-ethyl-2-(2-ethyl-4-hydroxyphenyl)phenol?
The InChIKey is HQLQJWLFJUSDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-3-11-6-5-7-15(18)16(11)14-9-8-13(17)10-12(14)4-2/h5-10,17-18H,3-4H2,1-2H3.
What are the key properties of 3-ethyl-2-(2-ethyl-4-hydroxyphenyl)phenol?
3-ethyl-2-(2-ethyl-4-hydroxyphenyl)phenol has a molecular weight of 242.32 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(2-ethyl-4-hydroxyphenyl)phenol is sourced from PubChem (CID 101302728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).