5-[(E)-3-hydroxyprop-1-enyl]-2,3-dimethoxyphenol

C11H14O4 — CID 14830746

IUPAC5-[(E)-3-hydroxyprop-1-enyl]-2,3-dimethoxyphenol
SMILESCOc1cc(/C=C/CO)cc(O)c1OC
InChIInChI=1S/C11H14O4/c1-14-10-7-8(4-3-5-12)6-9(13)11(10)15-2/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+
InChIKeyBKOHSGMZMRELEA-ONEGZZNKSA-N
MW210.23 g/mol
LogP1.41
Rot. Bonds4

About 5-[(E)-3-hydroxyprop-1-enyl]-2,3-dimethoxyphenol

5-[(E)-3-hydroxyprop-1-enyl]-2,3-dimethoxyphenol (PubChem CID 14830746) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-[(E)-3-hydroxyprop-1-enyl]-2,3-dimethoxyphenol.

Molecular Properties

Compound Name5-[(E)-3-hydroxyprop-1-enyl]-2,3-dimethoxyphenol
PubChem CID14830746
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name5-[(E)-3-hydroxyprop-1-enyl]-2,3-dimethoxyphenol
SMILESCOc1cc(/C=C/CO)cc(O)c1OC
InChIInChI=1S/C11H14O4/c1-14-10-7-8(4-3-5-12)6-9(13)11(10)15-2/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+
InChIKeyBKOHSGMZMRELEA-ONEGZZNKSA-N
XLogP1.41
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 69302242
2-amino-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol
CID 25033053
5-(3-hydroxyprop-1-enyl)-2-methoxyphenol
CID 79334673
5-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-2,3-dimethoxyphenol
CID 5386528
(E)-3-(3,4-dimethoxy-5-prop-2-enylphenyl)prop-2-en-1-ol
CID 44610392
3-[3,5-dimethoxy-4-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol
CID 85214400
2-ethoxy-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol
CID 101382375
5-[(E)-3-aminoprop-1-enyl]-3-ethoxy-2-methoxyphenol
CID 117319602
(E)-3-[3,5-dimethoxy-4-(oxiran-2-ylmethoxy)phenyl]prop-2-en-1-ol
CID 177209420
2-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-ol
CID 14018328
(1R,2R)-2-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-ol
CID 162926503
3-(3-hydroxyprop-1-enyl)-4,5-dimethoxybenzaldehyde
CID 169454316

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-hydroxyprop-1-enyl]-2,3-dimethoxyphenol?
The IUPAC name of 5-[(E)-3-hydroxyprop-1-enyl]-2,3-dimethoxyphenol (CID 14830746) is 5-[(E)-3-hydroxyprop-1-enyl]-2,3-dimethoxyphenol.
What is the SMILES notation for 5-[(E)-3-hydroxyprop-1-enyl]-2,3-dimethoxyphenol?
The canonical SMILES for 5-[(E)-3-hydroxyprop-1-enyl]-2,3-dimethoxyphenol is COc1cc(/C=C/CO)cc(O)c1OC.
What is the InChIKey of 5-[(E)-3-hydroxyprop-1-enyl]-2,3-dimethoxyphenol?
The InChIKey is BKOHSGMZMRELEA-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H14O4/c1-14-10-7-8(4-3-5-12)6-9(13)11(10)15-2/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+.
What are the key properties of 5-[(E)-3-hydroxyprop-1-enyl]-2,3-dimethoxyphenol?
5-[(E)-3-hydroxyprop-1-enyl]-2,3-dimethoxyphenol has a molecular weight of 210.23 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-hydroxyprop-1-enyl]-2,3-dimethoxyphenol is sourced from PubChem (CID 14830746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).