2-[(E)-3-(4-hydroxy-3-methoxyphenoxy)prop-2-enyl]-6-methoxy-4-prop-2-enylphenol

C20H22O5 — CID 25231264

IUPAC2-[(E)-3-(4-hydroxy-3-methoxyphenoxy)prop-2-enyl]-6-methoxy-4-prop-2-enylphenol
SMILESC=CCc1cc(C/C=C/Oc2ccc(O)c(OC)c2)c(O)c(OC)c1
InChIInChI=1S/C20H22O5/c1-4-6-14-11-15(20(22)19(12-14)24-3)7-5-10-25-16-8-9-17(21)18(13-16)23-2/h4-5,8-13,21-22H,1,6-7H2,2-3H3/b10-5+
InChIKeyVRELCUVYUBGICK-BJMVGYQFSA-N
MW342.39 g/mol
LogP3.98
Rot. Bonds8

About 2-[(E)-3-(4-hydroxy-3-methoxyphenoxy)prop-2-enyl]-6-methoxy-4-prop-2-enylphenol

2-[(E)-3-(4-hydroxy-3-methoxyphenoxy)prop-2-enyl]-6-methoxy-4-prop-2-enylphenol (PubChem CID 25231264) has the molecular formula C20H22O5 and a molecular weight of 342.39 g/mol. Its IUPAC name is 2-[(E)-3-(4-hydroxy-3-methoxyphenoxy)prop-2-enyl]-6-methoxy-4-prop-2-enylphenol.

Molecular Properties

Compound Name2-[(E)-3-(4-hydroxy-3-methoxyphenoxy)prop-2-enyl]-6-methoxy-4-prop-2-enylphenol
PubChem CID25231264
Molecular FormulaC20H22O5
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Name2-[(E)-3-(4-hydroxy-3-methoxyphenoxy)prop-2-enyl]-6-methoxy-4-prop-2-enylphenol
SMILESC=CCc1cc(C/C=C/Oc2ccc(O)c(OC)c2)c(O)c(OC)c1
InChIInChI=1S/C20H22O5/c1-4-6-14-11-15(20(22)19(12-14)24-3)7-5-10-25-16-8-9-17(21)18(13-16)23-2/h4-5,8-13,21-22H,1,6-7H2,2-3H3/b10-5+
InChIKeyVRELCUVYUBGICK-BJMVGYQFSA-N
XLogP3.98
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

buta-1,3-diene;bis(2-methoxy-4-prop-2-enylphenol)
CID 175132786
2-methoxy-6-methyl-4-prop-2-enylphenol;2-methoxy-4-prop-2-enylphenol
CID 158780722
CID 69284850
CID 69284850
2-methoxy-4-prop-2-enylphenol;hydroiodide
CID 172782314
2-[(dimethylamino)methyl]-6-methoxy-4-prop-2-enylphenol
CID 12032541
2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol
CID 160676628
ethoxybenzene;2-methoxy-4-prop-2-enylphenol
CID 69392132
2-(2-amino-3-hydroxypropyl)-6-methoxy-4-prop-2-enylphenol;hydrochloride
CID 170893167
1-deuteriooxy-2-methoxy-4-prop-2-enylbenzene
CID 123654669
bis(2-hydroxy-3-methoxy-5-prop-2-enylbenzoic acid);zinc
CID 175804048
methoxymethane;2-methoxy-4-prop-2-enylphenol;(4-methylphenyl) 2-methylpropanoate
CID 137380786
2-methoxy-4-prop-2-enylphenol;propanimidamide
CID 174912037

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-(4-hydroxy-3-methoxyphenoxy)prop-2-enyl]-6-methoxy-4-prop-2-enylphenol?
The IUPAC name of 2-[(E)-3-(4-hydroxy-3-methoxyphenoxy)prop-2-enyl]-6-methoxy-4-prop-2-enylphenol (CID 25231264) is 2-[(E)-3-(4-hydroxy-3-methoxyphenoxy)prop-2-enyl]-6-methoxy-4-prop-2-enylphenol.
What is the SMILES notation for 2-[(E)-3-(4-hydroxy-3-methoxyphenoxy)prop-2-enyl]-6-methoxy-4-prop-2-enylphenol?
The canonical SMILES for 2-[(E)-3-(4-hydroxy-3-methoxyphenoxy)prop-2-enyl]-6-methoxy-4-prop-2-enylphenol is C=CCc1cc(C/C=C/Oc2ccc(O)c(OC)c2)c(O)c(OC)c1.
What is the InChIKey of 2-[(E)-3-(4-hydroxy-3-methoxyphenoxy)prop-2-enyl]-6-methoxy-4-prop-2-enylphenol?
The InChIKey is VRELCUVYUBGICK-BJMVGYQFSA-N. The full InChI is InChI=1S/C20H22O5/c1-4-6-14-11-15(20(22)19(12-14)24-3)7-5-10-25-16-8-9-17(21)18(13-16)23-2/h4-5,8-13,21-22H,1,6-7H2,2-3H3/b10-5+.
What are the key properties of 2-[(E)-3-(4-hydroxy-3-methoxyphenoxy)prop-2-enyl]-6-methoxy-4-prop-2-enylphenol?
2-[(E)-3-(4-hydroxy-3-methoxyphenoxy)prop-2-enyl]-6-methoxy-4-prop-2-enylphenol has a molecular weight of 342.39 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-(4-hydroxy-3-methoxyphenoxy)prop-2-enyl]-6-methoxy-4-prop-2-enylphenol is sourced from PubChem (CID 25231264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).