1-(2-methoxyphenoxy)but-3-en-2-ol

C11H14O3 — CID 86137299

IUPAC1-(2-methoxyphenoxy)but-3-en-2-ol
SMILESC=CC(O)COc1ccccc1OC
InChIInChI=1S/C11H14O3/c1-3-9(12)8-14-11-7-5-4-6-10(11)13-2/h3-7,9,12H,1,8H2,2H3
InChIKeyVWXBZRHEPDXRPO-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.62
Rot. Bonds5

About 1-(2-methoxyphenoxy)but-3-en-2-ol

1-(2-methoxyphenoxy)but-3-en-2-ol (PubChem CID 86137299) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(2-methoxyphenoxy)but-3-en-2-ol.

Molecular Properties

Compound Name1-(2-methoxyphenoxy)but-3-en-2-ol
PubChem CID86137299
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name1-(2-methoxyphenoxy)but-3-en-2-ol
SMILESC=CC(O)COc1ccccc1OC
InChIInChI=1S/C11H14O3/c1-3-9(12)8-14-11-7-5-4-6-10(11)13-2/h3-7,9,12H,1,8H2,2H3
InChIKeyVWXBZRHEPDXRPO-UHFFFAOYSA-N
XLogP1.62
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyphenoxy)propan-2-ol
CID 22036327
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516
4-methoxy-1-(2-methoxyphenoxy)butan-2-ol
CID 117236738
1-cyclopentyl-3-(2-methoxyphenoxy)propan-2-ol
CID 103160603
1-but-3-enoxy-2-methoxybenzene
CID 56629510
1-(2-methoxyphenoxy)-3-(2-methylprop-2-enylamino)propan-2-ol
CID 114616905
3-(2-methoxyphenoxy)-2-methylpropanoic acid
CID 43537701
1-cyclopentyl-2-(2-methoxyphenoxy)ethanol
CID 113449278
1-(2-methoxyphenoxy)-3-[(1-methylcyclopropyl)amino]propan-2-ol
CID 113485421
(2S)-1-(2-methoxyphenoxy)-3-methylbutan-2-amine
CID 39110010
[(2S)-1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamic acid
CID 165430264
1-(2,6-dimethoxyphenyl)prop-2-en-1-ol
CID 115814673

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenoxy)but-3-en-2-ol?
The IUPAC name of 1-(2-methoxyphenoxy)but-3-en-2-ol (CID 86137299) is 1-(2-methoxyphenoxy)but-3-en-2-ol.
What is the SMILES notation for 1-(2-methoxyphenoxy)but-3-en-2-ol?
The canonical SMILES for 1-(2-methoxyphenoxy)but-3-en-2-ol is C=CC(O)COc1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenoxy)but-3-en-2-ol?
The InChIKey is VWXBZRHEPDXRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-3-9(12)8-14-11-7-5-4-6-10(11)13-2/h3-7,9,12H,1,8H2,2H3.
What are the key properties of 1-(2-methoxyphenoxy)but-3-en-2-ol?
1-(2-methoxyphenoxy)but-3-en-2-ol has a molecular weight of 194.23 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenoxy)but-3-en-2-ol is sourced from PubChem (CID 86137299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).