2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)butyl]phenol

C20H26O2 — CID 139671739

IUPAC2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)butyl]phenol
SMILESCCCC(c1ccc(O)c(CC)c1)c1ccc(O)c(CC)c1
InChIInChI=1S/C20H26O2/c1-4-7-18(16-8-10-19(21)14(5-2)12-16)17-9-11-20(22)15(6-3)13-17/h8-13,18,21-22H,4-7H2,1-3H3
InChIKeyFEOUEAWZELISRU-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.15
Rot. Bonds6

About 2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)butyl]phenol

2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)butyl]phenol (PubChem CID 139671739) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)butyl]phenol.

Molecular Properties

Compound Name2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)butyl]phenol
PubChem CID139671739
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)butyl]phenol
SMILESCCCC(c1ccc(O)c(CC)c1)c1ccc(O)c(CC)c1
InChIInChI=1S/C20H26O2/c1-4-7-18(16-8-10-19(21)14(5-2)12-16)17-9-11-20(22)15(6-3)13-17/h8-13,18,21-22H,4-7H2,1-3H3
InChIKeyFEOUEAWZELISRU-UHFFFAOYSA-N
XLogP5.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)butyl]phenol?
The IUPAC name of 2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)butyl]phenol (CID 139671739) is 2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)butyl]phenol.
What is the SMILES notation for 2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)butyl]phenol?
The canonical SMILES for 2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)butyl]phenol is CCCC(c1ccc(O)c(CC)c1)c1ccc(O)c(CC)c1.
What is the InChIKey of 2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)butyl]phenol?
The InChIKey is FEOUEAWZELISRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-4-7-18(16-8-10-19(21)14(5-2)12-16)17-9-11-20(22)15(6-3)13-17/h8-13,18,21-22H,4-7H2,1-3H3.
What are the key properties of 2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)butyl]phenol?
2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)butyl]phenol has a molecular weight of 298.43 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)butyl]phenol is sourced from PubChem (CID 139671739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).