(2E)-1-(5,7-dimethyl-1-benzofuran-2-yl)-2-ethenylpenta-2,4-dien-1-ol;ethane

C21H30O2 — CID 156724796

IUPAC(2E)-1-(5,7-dimethyl-1-benzofuran-2-yl)-2-ethenylpenta-2,4-dien-1-ol;ethane
SMILESC=C/C=C(\C=C)C(O)c1cc2cc(C)cc(C)c2o1.CC.CC
InChIInChI=1S/C17H18O2.2C2H6/c1-5-7-13(6-2)16(18)15-10-14-9-11(3)8-12(4)17(14)19-15;2*1-2/h5-10,16,18H,1-2H2,3-4H3;2*1-2H3/b13-7+;;
InChIKeyQNTNCWOTEIYFSY-JOZOFPPJSA-N
MW314.47 g/mol
LogP6.43
Rot. Bonds4

About (2E)-1-(5,7-dimethyl-1-benzofuran-2-yl)-2-ethenylpenta-2,4-dien-1-ol;ethane

(2E)-1-(5,7-dimethyl-1-benzofuran-2-yl)-2-ethenylpenta-2,4-dien-1-ol;ethane (PubChem CID 156724796) has the molecular formula C21H30O2 and a molecular weight of 314.47 g/mol. Its IUPAC name is (2E)-1-(5,7-dimethyl-1-benzofuran-2-yl)-2-ethenylpenta-2,4-dien-1-ol;ethane.

Molecular Properties

Compound Name(2E)-1-(5,7-dimethyl-1-benzofuran-2-yl)-2-ethenylpenta-2,4-dien-1-ol;ethane
PubChem CID156724796
Molecular FormulaC21H30O2
Molecular Weight314.47 g/mol
Exact Mass314.22
IUPAC Name(2E)-1-(5,7-dimethyl-1-benzofuran-2-yl)-2-ethenylpenta-2,4-dien-1-ol;ethane
SMILESC=C/C=C(\C=C)C(O)c1cc2cc(C)cc(C)c2o1.CC.CC
InChIInChI=1S/C17H18O2.2C2H6/c1-5-7-13(6-2)16(18)15-10-14-9-11(3)8-12(4)17(14)19-15;2*1-2/h5-10,16,18H,1-2H2,3-4H3;2*1-2H3/b13-7+;;
InChIKeyQNTNCWOTEIYFSY-JOZOFPPJSA-N
XLogP6.43
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E)-1-(5,7-dimethyl-1-benzofuran-2-yl)-2-ethenylpenta-2,4-dien-1-ol;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-1-(5,7-dimethyl-1-benzofuran-2-yl)-2-ethenylpenta-2,4-dien-1-ol;ethane?
The IUPAC name of (2E)-1-(5,7-dimethyl-1-benzofuran-2-yl)-2-ethenylpenta-2,4-dien-1-ol;ethane (CID 156724796) is (2E)-1-(5,7-dimethyl-1-benzofuran-2-yl)-2-ethenylpenta-2,4-dien-1-ol;ethane.
What is the SMILES notation for (2E)-1-(5,7-dimethyl-1-benzofuran-2-yl)-2-ethenylpenta-2,4-dien-1-ol;ethane?
The canonical SMILES for (2E)-1-(5,7-dimethyl-1-benzofuran-2-yl)-2-ethenylpenta-2,4-dien-1-ol;ethane is C=C/C=C(\C=C)C(O)c1cc2cc(C)cc(C)c2o1.CC.CC.
What is the InChIKey of (2E)-1-(5,7-dimethyl-1-benzofuran-2-yl)-2-ethenylpenta-2,4-dien-1-ol;ethane?
The InChIKey is QNTNCWOTEIYFSY-JOZOFPPJSA-N. The full InChI is InChI=1S/C17H18O2.2C2H6/c1-5-7-13(6-2)16(18)15-10-14-9-11(3)8-12(4)17(14)19-15;2*1-2/h5-10,16,18H,1-2H2,3-4H3;2*1-2H3/b13-7+;;.
What are the key properties of (2E)-1-(5,7-dimethyl-1-benzofuran-2-yl)-2-ethenylpenta-2,4-dien-1-ol;ethane?
(2E)-1-(5,7-dimethyl-1-benzofuran-2-yl)-2-ethenylpenta-2,4-dien-1-ol;ethane has a molecular weight of 314.47 g/mol, XLogP of 6.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-(5,7-dimethyl-1-benzofuran-2-yl)-2-ethenylpenta-2,4-dien-1-ol;ethane is sourced from PubChem (CID 156724796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).