4-[(E)-but-2-enoxy]-3-methylphenol

C11H14O2 — CID 131233289

IUPAC4-[(E)-but-2-enoxy]-3-methylphenol
SMILESC/C=C/COc1ccc(O)cc1C
InChIInChI=1S/C11H14O2/c1-3-4-7-13-11-6-5-10(12)8-9(11)2/h3-6,8,12H,7H2,1-2H3/b4-3+
InChIKeyVSGGPDDIPMXILJ-ONEGZZNKSA-N
MW178.23 g/mol
LogP2.66
Rot. Bonds3

About 4-[(E)-but-2-enoxy]-3-methylphenol

4-[(E)-but-2-enoxy]-3-methylphenol (PubChem CID 131233289) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-[(E)-but-2-enoxy]-3-methylphenol.

Molecular Properties

Compound Name4-[(E)-but-2-enoxy]-3-methylphenol
PubChem CID131233289
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name4-[(E)-but-2-enoxy]-3-methylphenol
SMILESC/C=C/COc1ccc(O)cc1C
InChIInChI=1S/C11H14O2/c1-3-4-7-13-11-6-5-10(12)8-9(11)2/h3-6,8,12H,7H2,1-2H3/b4-3+
InChIKeyVSGGPDDIPMXILJ-ONEGZZNKSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(E)-but-2-enoxy]-3-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(E)-but-2-enoxy]-2-methylbenzene
CID 60773432
1-[(E)-but-2-enoxy]-4,5-difluoro-2-methylbenzene
CID 130512826
1-(4-hydroxy-2-methylphenoxy)propan-2-one
CID 21300949
(1S)-1-(2-but-2-enoxy-5-methylphenyl)ethanol
CID 78934280
3-methyl-4-[(2E)-2-methylpenta-2,4-dienoxy]phenol
CID 15532232
(1R)-1-(2-but-2-enoxy-5-methylphenyl)ethanol
CID 78931205
ethane;1-[(E)-4-methoxybut-2-enoxy]-2,4-dimethylbenzene
CID 143283214
4-[(2-amino-6-methoxyphenyl)methoxy]-3-methylphenol
CID 129110059
5-but-2-enoxy-3,8-dimethyl-1H-quinolin-2-one
CID 54544325
4-[(2-amino-6-methylphenyl)methoxy]-3-methylphenol
CID 129110100
4-chloro-1-[(E)-4-chlorobut-2-enoxy]-2-methylbenzene
CID 13057211
4-[(E)-but-2-enoxy]-2-chloro-5-methylpyridine
CID 83270118

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-2-enoxy]-3-methylphenol?
The IUPAC name of 4-[(E)-but-2-enoxy]-3-methylphenol (CID 131233289) is 4-[(E)-but-2-enoxy]-3-methylphenol.
What is the SMILES notation for 4-[(E)-but-2-enoxy]-3-methylphenol?
The canonical SMILES for 4-[(E)-but-2-enoxy]-3-methylphenol is C/C=C/COc1ccc(O)cc1C.
What is the InChIKey of 4-[(E)-but-2-enoxy]-3-methylphenol?
The InChIKey is VSGGPDDIPMXILJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H14O2/c1-3-4-7-13-11-6-5-10(12)8-9(11)2/h3-6,8,12H,7H2,1-2H3/b4-3+.
What are the key properties of 4-[(E)-but-2-enoxy]-3-methylphenol?
4-[(E)-but-2-enoxy]-3-methylphenol has a molecular weight of 178.23 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-2-enoxy]-3-methylphenol is sourced from PubChem (CID 131233289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).