4-[(E)-3-hydroxybut-1-enyl]-2-methoxyphenol

C11H14O3 — CID 102548714

IUPAC4-[(E)-3-hydroxybut-1-enyl]-2-methoxyphenol
SMILESCOc1cc(/C=C/C(C)O)ccc1O
InChIInChI=1S/C11H14O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h3-8,12-13H,1-2H3/b4-3+
InChIKeyXGXVVEGVBYEBNS-ONEGZZNKSA-N
MW194.23 g/mol
LogP1.79
Rot. Bonds3

About 4-[(E)-3-hydroxybut-1-enyl]-2-methoxyphenol

4-[(E)-3-hydroxybut-1-enyl]-2-methoxyphenol (PubChem CID 102548714) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-[(E)-3-hydroxybut-1-enyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(E)-3-hydroxybut-1-enyl]-2-methoxyphenol
PubChem CID102548714
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name4-[(E)-3-hydroxybut-1-enyl]-2-methoxyphenol
SMILESCOc1cc(/C=C/C(C)O)ccc1O
InChIInChI=1S/C11H14O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h3-8,12-13H,1-2H3/b4-3+
InChIKeyXGXVVEGVBYEBNS-ONEGZZNKSA-N
XLogP1.79
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-diol
CID 11793638
4-[(E)-3-(ethylamino)but-1-enyl]-2-methoxyphenol
CID 103092341
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyphenol
CID 11406193
4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyphenol
CID 10377070
4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol
CID 87643823
3-(4-hydroxy-3-methoxyphenyl)prop-2-enal;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
CID 172694499
4-[(E)-2-(diphosphanyl)ethenyl]-2-methoxyphenol
CID 143209626
ethane;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
CID 145227199
(E)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradec-1-en-5-one
CID 11462190
2-methoxy-4-[2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenol
CID 91447889
[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-eneperoxoate
CID 155779332
2-methoxy-4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenol
CID 87643228

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-hydroxybut-1-enyl]-2-methoxyphenol?
The IUPAC name of 4-[(E)-3-hydroxybut-1-enyl]-2-methoxyphenol (CID 102548714) is 4-[(E)-3-hydroxybut-1-enyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(E)-3-hydroxybut-1-enyl]-2-methoxyphenol?
The canonical SMILES for 4-[(E)-3-hydroxybut-1-enyl]-2-methoxyphenol is COc1cc(/C=C/C(C)O)ccc1O.
What is the InChIKey of 4-[(E)-3-hydroxybut-1-enyl]-2-methoxyphenol?
The InChIKey is XGXVVEGVBYEBNS-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H14O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h3-8,12-13H,1-2H3/b4-3+.
What are the key properties of 4-[(E)-3-hydroxybut-1-enyl]-2-methoxyphenol?
4-[(E)-3-hydroxybut-1-enyl]-2-methoxyphenol has a molecular weight of 194.23 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-hydroxybut-1-enyl]-2-methoxyphenol is sourced from PubChem (CID 102548714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).