(E)-2-methyl-4-(2,3,5,6-tetramethoxyphenyl)but-2-en-1-ol

C15H22O5 — CID 10493154

IUPAC(E)-2-methyl-4-(2,3,5,6-tetramethoxyphenyl)but-2-en-1-ol
SMILESCOc1cc(OC)c(OC)c(C/C=C(\C)CO)c1OC
InChIInChI=1S/C15H22O5/c1-10(9-16)6-7-11-14(19-4)12(17-2)8-13(18-3)15(11)20-5/h6,8,16H,7,9H2,1-5H3/b10-6+
InChIKeyUYPQFCHWSIYBSB-UXBLZVDNSA-N
MW282.34 g/mol
LogP2.20
Rot. Bonds7

About (E)-2-methyl-4-(2,3,5,6-tetramethoxyphenyl)but-2-en-1-ol

(E)-2-methyl-4-(2,3,5,6-tetramethoxyphenyl)but-2-en-1-ol (PubChem CID 10493154) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is (E)-2-methyl-4-(2,3,5,6-tetramethoxyphenyl)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-2-methyl-4-(2,3,5,6-tetramethoxyphenyl)but-2-en-1-ol
PubChem CID10493154
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name(E)-2-methyl-4-(2,3,5,6-tetramethoxyphenyl)but-2-en-1-ol
SMILESCOc1cc(OC)c(OC)c(C/C=C(\C)CO)c1OC
InChIInChI=1S/C15H22O5/c1-10(9-16)6-7-11-14(19-4)12(17-2)8-13(18-3)15(11)20-5/h6,8,16H,7,9H2,1-5H3/b10-6+
InChIKeyUYPQFCHWSIYBSB-UXBLZVDNSA-N
XLogP2.20
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-4-(2,3,5,6-tetramethoxyphenyl)but-2-en-1-ol?
The IUPAC name of (E)-2-methyl-4-(2,3,5,6-tetramethoxyphenyl)but-2-en-1-ol (CID 10493154) is (E)-2-methyl-4-(2,3,5,6-tetramethoxyphenyl)but-2-en-1-ol.
What is the SMILES notation for (E)-2-methyl-4-(2,3,5,6-tetramethoxyphenyl)but-2-en-1-ol?
The canonical SMILES for (E)-2-methyl-4-(2,3,5,6-tetramethoxyphenyl)but-2-en-1-ol is COc1cc(OC)c(OC)c(C/C=C(\C)CO)c1OC.
What is the InChIKey of (E)-2-methyl-4-(2,3,5,6-tetramethoxyphenyl)but-2-en-1-ol?
The InChIKey is UYPQFCHWSIYBSB-UXBLZVDNSA-N. The full InChI is InChI=1S/C15H22O5/c1-10(9-16)6-7-11-14(19-4)12(17-2)8-13(18-3)15(11)20-5/h6,8,16H,7,9H2,1-5H3/b10-6+.
What are the key properties of (E)-2-methyl-4-(2,3,5,6-tetramethoxyphenyl)but-2-en-1-ol?
(E)-2-methyl-4-(2,3,5,6-tetramethoxyphenyl)but-2-en-1-ol has a molecular weight of 282.34 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-4-(2,3,5,6-tetramethoxyphenyl)but-2-en-1-ol is sourced from PubChem (CID 10493154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).