4-ethyl-2-[1-(5-ethyl-2-hydroxy-3-prop-1-en-2-ylphenyl)ethyl]-6-prop-1-en-2-ylphenol

C24H30O2 — CID 89341345

IUPAC4-ethyl-2-[1-(5-ethyl-2-hydroxy-3-prop-1-en-2-ylphenyl)ethyl]-6-prop-1-en-2-ylphenol
SMILESC=C(C)c1cc(CC)cc(C(C)c2cc(CC)cc(C(=C)C)c2O)c1O
InChIInChI=1S/C24H30O2/c1-8-17-10-19(14(3)4)23(25)21(12-17)16(7)22-13-18(9-2)11-20(15(5)6)24(22)26/h10-13,16,25-26H,3,5,8-9H2,1-2,4,6-7H3
InChIKeyGETXWYJQEBSIOR-UHFFFAOYSA-N
MW350.50 g/mol
LogP6.44
Rot. Bonds6

About 4-ethyl-2-[1-(5-ethyl-2-hydroxy-3-prop-1-en-2-ylphenyl)ethyl]-6-prop-1-en-2-ylphenol

4-ethyl-2-[1-(5-ethyl-2-hydroxy-3-prop-1-en-2-ylphenyl)ethyl]-6-prop-1-en-2-ylphenol (PubChem CID 89341345) has the molecular formula C24H30O2 and a molecular weight of 350.50 g/mol. Its IUPAC name is 4-ethyl-2-[1-(5-ethyl-2-hydroxy-3-prop-1-en-2-ylphenyl)ethyl]-6-prop-1-en-2-ylphenol.

Molecular Properties

Compound Name4-ethyl-2-[1-(5-ethyl-2-hydroxy-3-prop-1-en-2-ylphenyl)ethyl]-6-prop-1-en-2-ylphenol
PubChem CID89341345
Molecular FormulaC24H30O2
Molecular Weight350.50 g/mol
Exact Mass350.22
IUPAC Name4-ethyl-2-[1-(5-ethyl-2-hydroxy-3-prop-1-en-2-ylphenyl)ethyl]-6-prop-1-en-2-ylphenol
SMILESC=C(C)c1cc(CC)cc(C(C)c2cc(CC)cc(C(=C)C)c2O)c1O
InChIInChI=1S/C24H30O2/c1-8-17-10-19(14(3)4)23(25)21(12-17)16(7)22-13-18(9-2)11-20(15(5)6)24(22)26/h10-13,16,25-26H,3,5,8-9H2,1-2,4,6-7H3
InChIKeyGETXWYJQEBSIOR-UHFFFAOYSA-N
XLogP6.44
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.50
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[1-(5-ethyl-2-hydroxy-3-prop-1-en-2-ylphenyl)ethyl]-6-prop-1-en-2-ylphenol?
The IUPAC name of 4-ethyl-2-[1-(5-ethyl-2-hydroxy-3-prop-1-en-2-ylphenyl)ethyl]-6-prop-1-en-2-ylphenol (CID 89341345) is 4-ethyl-2-[1-(5-ethyl-2-hydroxy-3-prop-1-en-2-ylphenyl)ethyl]-6-prop-1-en-2-ylphenol.
What is the SMILES notation for 4-ethyl-2-[1-(5-ethyl-2-hydroxy-3-prop-1-en-2-ylphenyl)ethyl]-6-prop-1-en-2-ylphenol?
The canonical SMILES for 4-ethyl-2-[1-(5-ethyl-2-hydroxy-3-prop-1-en-2-ylphenyl)ethyl]-6-prop-1-en-2-ylphenol is C=C(C)c1cc(CC)cc(C(C)c2cc(CC)cc(C(=C)C)c2O)c1O.
What is the InChIKey of 4-ethyl-2-[1-(5-ethyl-2-hydroxy-3-prop-1-en-2-ylphenyl)ethyl]-6-prop-1-en-2-ylphenol?
The InChIKey is GETXWYJQEBSIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O2/c1-8-17-10-19(14(3)4)23(25)21(12-17)16(7)22-13-18(9-2)11-20(15(5)6)24(22)26/h10-13,16,25-26H,3,5,8-9H2,1-2,4,6-7H3.
What are the key properties of 4-ethyl-2-[1-(5-ethyl-2-hydroxy-3-prop-1-en-2-ylphenyl)ethyl]-6-prop-1-en-2-ylphenol?
4-ethyl-2-[1-(5-ethyl-2-hydroxy-3-prop-1-en-2-ylphenyl)ethyl]-6-prop-1-en-2-ylphenol has a molecular weight of 350.50 g/mol, XLogP of 6.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[1-(5-ethyl-2-hydroxy-3-prop-1-en-2-ylphenyl)ethyl]-6-prop-1-en-2-ylphenol is sourced from PubChem (CID 89341345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).