2-(2-methoxy-4-prop-2-enylphenoxy)ethene-1,1-diol

C12H14O4 — CID 146301981

IUPAC2-(2-methoxy-4-prop-2-enylphenoxy)ethene-1,1-diol
SMILESC=CCc1ccc(OC=C(O)O)c(OC)c1
InChIInChI=1S/C12H14O4/c1-3-4-9-5-6-10(11(7-9)15-2)16-8-12(13)14/h3,5-8,13-14H,1,4H2,2H3
InChIKeySZKVXWZKVHLCIG-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.72
Rot. Bonds5

About 2-(2-methoxy-4-prop-2-enylphenoxy)ethene-1,1-diol

2-(2-methoxy-4-prop-2-enylphenoxy)ethene-1,1-diol (PubChem CID 146301981) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(2-methoxy-4-prop-2-enylphenoxy)ethene-1,1-diol.

Molecular Properties

Compound Name2-(2-methoxy-4-prop-2-enylphenoxy)ethene-1,1-diol
PubChem CID146301981
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name2-(2-methoxy-4-prop-2-enylphenoxy)ethene-1,1-diol
SMILESC=CCc1ccc(OC=C(O)O)c(OC)c1
InChIInChI=1S/C12H14O4/c1-3-4-9-5-6-10(11(7-9)15-2)16-8-12(13)14/h3,5-8,13-14H,1,4H2,2H3
InChIKeySZKVXWZKVHLCIG-UHFFFAOYSA-N
XLogP2.72
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
(2-methoxy-4-prop-2-enylphenyl) formate
CID 24835
iron;(2-methoxy-4-prop-2-enylphenyl) formate
CID 174941140
2-methoxy-1-propan-2-yloxy-4-prop-2-enylbenzene
CID 57350376
(2-methoxy-4-prop-2-enylphenoxy)phosphane
CID 155424724
acetic acid;(2-methoxy-4-prop-2-enylphenyl) acetate
CID 159570421
2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
CID 19906474
2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol
CID 160676628
2-methoxy-4-prop-2-enylphenol;hydroiodide
CID 172782314
CID 69284850
CID 69284850
1,2-dimethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-5-prop-2-enylbenzene
CID 122178034
buta-1,3-diene;bis(2-methoxy-4-prop-2-enylphenol)
CID 175132786

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-prop-2-enylphenoxy)ethene-1,1-diol?
The IUPAC name of 2-(2-methoxy-4-prop-2-enylphenoxy)ethene-1,1-diol (CID 146301981) is 2-(2-methoxy-4-prop-2-enylphenoxy)ethene-1,1-diol.
What is the SMILES notation for 2-(2-methoxy-4-prop-2-enylphenoxy)ethene-1,1-diol?
The canonical SMILES for 2-(2-methoxy-4-prop-2-enylphenoxy)ethene-1,1-diol is C=CCc1ccc(OC=C(O)O)c(OC)c1.
What is the InChIKey of 2-(2-methoxy-4-prop-2-enylphenoxy)ethene-1,1-diol?
The InChIKey is SZKVXWZKVHLCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-3-4-9-5-6-10(11(7-9)15-2)16-8-12(13)14/h3,5-8,13-14H,1,4H2,2H3.
What are the key properties of 2-(2-methoxy-4-prop-2-enylphenoxy)ethene-1,1-diol?
2-(2-methoxy-4-prop-2-enylphenoxy)ethene-1,1-diol has a molecular weight of 222.24 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-prop-2-enylphenoxy)ethene-1,1-diol is sourced from PubChem (CID 146301981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).