(E)-3-[3,5-dimethoxy-4-(oxiran-2-ylmethoxy)phenyl]prop-2-en-1-ol

C14H18O5 — CID 177209420

IUPAC(E)-3-[3,5-dimethoxy-4-(oxiran-2-ylmethoxy)phenyl]prop-2-en-1-ol
SMILESCOc1cc(/C=C/CO)cc(OC)c1OCC1CO1
InChIInChI=1S/C14H18O5/c1-16-12-6-10(4-3-5-15)7-13(17-2)14(12)19-9-11-8-18-11/h3-4,6-7,11,15H,5,8-9H2,1-2H3/b4-3+
InChIKeyQWSLOEJKPRJCJJ-ONEGZZNKSA-N
MW266.29 g/mol
LogP1.49
Rot. Bonds7

About (E)-3-[3,5-dimethoxy-4-(oxiran-2-ylmethoxy)phenyl]prop-2-en-1-ol

(E)-3-[3,5-dimethoxy-4-(oxiran-2-ylmethoxy)phenyl]prop-2-en-1-ol (PubChem CID 177209420) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is (E)-3-[3,5-dimethoxy-4-(oxiran-2-ylmethoxy)phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[3,5-dimethoxy-4-(oxiran-2-ylmethoxy)phenyl]prop-2-en-1-ol
PubChem CID177209420
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name(E)-3-[3,5-dimethoxy-4-(oxiran-2-ylmethoxy)phenyl]prop-2-en-1-ol
SMILESCOc1cc(/C=C/CO)cc(OC)c1OCC1CO1
InChIInChI=1S/C14H18O5/c1-16-12-6-10(4-3-5-15)7-13(17-2)14(12)19-9-11-8-18-11/h3-4,6-7,11,15H,5,8-9H2,1-2H3/b4-3+
InChIKeyQWSLOEJKPRJCJJ-ONEGZZNKSA-N
XLogP1.49
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(1E,4E)-1,5-bis[3,5-dimethoxy-4-(oxiran-2-ylmethoxy)phenyl]penta-1,4-dien-3-one
CID 102029680
2-[[4-[(E)-2-[4-(ethoxymethoxy)-3,5-dimethoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]methyl]oxirane
CID 145103096
1-[3,5-dimethoxy-4-(oxiran-2-ylmethoxy)phenyl]-4,4-dimethylpent-1-en-3-one
CID 139727215
3-[3,5-dimethoxy-4-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol
CID 85214400
5-[(E)-3-hydroxyprop-1-enyl]-2,3-dimethoxyphenol
CID 14830746
[3-[5-(hydroxymethyl)-2-(oxiran-2-ylmethoxy)-3-sulfanyloxyphenyl]-5-methoxy-4-(oxiran-2-ylmethoxy)phenyl]methanol
CID 166921870
2-[[2,6-dimethoxy-4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
CID 118245779
(E)-3-(3,4-dimethoxy-5-prop-2-enylphenyl)prop-2-en-1-ol
CID 44610392
2-amino-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol
CID 25033053
2-ethoxy-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol
CID 101382375
8-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-2,6-dimethylocta-3,6-dien-2-ol
CID 162990839
2-[2-chloro-4-(3-hydroxyprop-1-enyl)-6-methoxyphenoxy]acetamide
CID 79334777

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3,5-dimethoxy-4-(oxiran-2-ylmethoxy)phenyl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[3,5-dimethoxy-4-(oxiran-2-ylmethoxy)phenyl]prop-2-en-1-ol (CID 177209420) is (E)-3-[3,5-dimethoxy-4-(oxiran-2-ylmethoxy)phenyl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[3,5-dimethoxy-4-(oxiran-2-ylmethoxy)phenyl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[3,5-dimethoxy-4-(oxiran-2-ylmethoxy)phenyl]prop-2-en-1-ol is COc1cc(/C=C/CO)cc(OC)c1OCC1CO1.
What is the InChIKey of (E)-3-[3,5-dimethoxy-4-(oxiran-2-ylmethoxy)phenyl]prop-2-en-1-ol?
The InChIKey is QWSLOEJKPRJCJJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H18O5/c1-16-12-6-10(4-3-5-15)7-13(17-2)14(12)19-9-11-8-18-11/h3-4,6-7,11,15H,5,8-9H2,1-2H3/b4-3+.
What are the key properties of (E)-3-[3,5-dimethoxy-4-(oxiran-2-ylmethoxy)phenyl]prop-2-en-1-ol?
(E)-3-[3,5-dimethoxy-4-(oxiran-2-ylmethoxy)phenyl]prop-2-en-1-ol has a molecular weight of 266.29 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3,5-dimethoxy-4-(oxiran-2-ylmethoxy)phenyl]prop-2-en-1-ol is sourced from PubChem (CID 177209420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).