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

C11H14O3 — CID 67673367

IUPAC2-[(E)-4-hydroxybut-2-enyl]-3-methoxyphenol
SMILESCOc1cccc(O)c1C/C=C/CO
InChIInChI=1S/C11H14O3/c1-14-11-7-4-6-10(13)9(11)5-2-3-8-12/h2-4,6-7,12-13H,5,8H2,1H3/b3-2+
InChIKeyULRLXNBORLBNKF-NSCUHMNNSA-N
MW194.23 g/mol
LogP1.49
Rot. Bonds4

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

2-[(E)-4-hydroxybut-2-enyl]-3-methoxyphenol (PubChem CID 67673367) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-[(E)-4-hydroxybut-2-enyl]-3-methoxyphenol.

Molecular Properties

Compound Name2-[(E)-4-hydroxybut-2-enyl]-3-methoxyphenol
PubChem CID67673367
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-[(E)-4-hydroxybut-2-enyl]-3-methoxyphenol
SMILESCOc1cccc(O)c1C/C=C/CO
InChIInChI=1S/C11H14O3/c1-14-11-7-4-6-10(13)9(11)5-2-3-8-12/h2-4,6-7,12-13H,5,8H2,1H3/b3-2+
InChIKeyULRLXNBORLBNKF-NSCUHMNNSA-N
XLogP1.49
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-4-(2-methoxyphenyl)but-2-en-1-ol
CID 15500390
3-methoxy-2-propylphenol
CID 10607156
1,3-dimethoxy-2-(3-methylbut-2-enyl)benzene
CID 54284542
[(E)-3-(2,6-dimethoxyphenyl)prop-1-enyl] acetate
CID 135001864
3-methoxy-2-(3-methylbutyl)phenol
CID 141105088
(E)-3-(2,3-dimethoxyphenyl)prop-2-en-1-ol
CID 67913122
3-methoxy-2-(2-phenylethyl)phenol
CID 44887037
(2-hydroxy-6-methoxyphenyl)methyl acetate
CID 162054633
1,3-dimethoxy-2-prop-2-enylbenzene
CID 3014232
(E)-3-(2-methoxyphenyl)prop-2-en-1-ol
CID 11400969
(E)-4-(2,5-dimethoxyphenyl)but-2-en-1-ol
CID 135008625
(2-methoxy-6-sulfanylphenyl)methanol
CID 130129836

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-4-hydroxybut-2-enyl]-3-methoxyphenol?
The IUPAC name of 2-[(E)-4-hydroxybut-2-enyl]-3-methoxyphenol (CID 67673367) is 2-[(E)-4-hydroxybut-2-enyl]-3-methoxyphenol.
What is the SMILES notation for 2-[(E)-4-hydroxybut-2-enyl]-3-methoxyphenol?
The canonical SMILES for 2-[(E)-4-hydroxybut-2-enyl]-3-methoxyphenol is COc1cccc(O)c1C/C=C/CO.
What is the InChIKey of 2-[(E)-4-hydroxybut-2-enyl]-3-methoxyphenol?
The InChIKey is ULRLXNBORLBNKF-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H14O3/c1-14-11-7-4-6-10(13)9(11)5-2-3-8-12/h2-4,6-7,12-13H,5,8H2,1H3/b3-2+.
What are the key properties of 2-[(E)-4-hydroxybut-2-enyl]-3-methoxyphenol?
2-[(E)-4-hydroxybut-2-enyl]-3-methoxyphenol has a molecular weight of 194.23 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4-hydroxybut-2-enyl]-3-methoxyphenol is sourced from PubChem (CID 67673367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).