methyl 2-(2-prop-2-enylphenoxy)butanoate

C14H18O3 — CID 59918636

IUPACmethyl 2-(2-prop-2-enylphenoxy)butanoate
SMILESC=CCc1ccccc1OC(CC)C(=O)OC
InChIInChI=1S/C14H18O3/c1-4-8-11-9-6-7-10-13(11)17-12(5-2)14(15)16-3/h4,6-7,9-10,12H,1,5,8H2,2-3H3
InChIKeyYBPWOWCGPFNYBH-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.75
Rot. Bonds6

About methyl 2-(2-prop-2-enylphenoxy)butanoate

methyl 2-(2-prop-2-enylphenoxy)butanoate (PubChem CID 59918636) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is methyl 2-(2-prop-2-enylphenoxy)butanoate.

Molecular Properties

Compound Namemethyl 2-(2-prop-2-enylphenoxy)butanoate
PubChem CID59918636
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Namemethyl 2-(2-prop-2-enylphenoxy)butanoate
SMILESC=CCc1ccccc1OC(CC)C(=O)OC
InChIInChI=1S/C14H18O3/c1-4-8-11-9-6-7-10-13(11)17-12(5-2)14(15)16-3/h4,6-7,9-10,12H,1,5,8H2,2-3H3
InChIKeyYBPWOWCGPFNYBH-UHFFFAOYSA-N
XLogP2.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[4-[4-methoxy-4-oxo-3-(2-prop-2-enylphenoxy)butyl]phenyl]-2-(2-prop-2-enylphenoxy)butanoate
CID 22954472
1-(2-prop-2-enylphenoxy)propan-1-ol
CID 70371312
methyl 2-bromo-3-(2-prop-2-enylphenoxy)propanoate
CID 81092362
(3R)-3-(2-prop-2-enylphenoxy)butanoic acid
CID 103547954
ethyl 2-[2-(ethylaminomethyl)phenoxy]butanoate
CID 64669299
1-(4-methylphenyl)-2-(2-prop-2-enylphenoxy)propan-1-one
CID 62034186
methyl (2R)-2-(2-ethylphenoxy)propanoate
CID 103337851
(2-prop-2-enylphenyl) acetate;dihydrobromide
CID 70043796
methyl 2-(2-ethylphenoxy)propanoate
CID 60643103
methyl 2,2-dimethyl-3-(2-prop-2-enylphenoxy)propanoate
CID 79622880
methyl 4-(2-prop-2-enylphenoxy)butanoate
CID 43608103
(2R)-2-(2-fluorophenoxy)-N-prop-2-enylbutanamide
CID 40747122

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-prop-2-enylphenoxy)butanoate?
The IUPAC name of methyl 2-(2-prop-2-enylphenoxy)butanoate (CID 59918636) is methyl 2-(2-prop-2-enylphenoxy)butanoate.
What is the SMILES notation for methyl 2-(2-prop-2-enylphenoxy)butanoate?
The canonical SMILES for methyl 2-(2-prop-2-enylphenoxy)butanoate is C=CCc1ccccc1OC(CC)C(=O)OC.
What is the InChIKey of methyl 2-(2-prop-2-enylphenoxy)butanoate?
The InChIKey is YBPWOWCGPFNYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-4-8-11-9-6-7-10-13(11)17-12(5-2)14(15)16-3/h4,6-7,9-10,12H,1,5,8H2,2-3H3.
What are the key properties of methyl 2-(2-prop-2-enylphenoxy)butanoate?
methyl 2-(2-prop-2-enylphenoxy)butanoate has a molecular weight of 234.29 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-prop-2-enylphenoxy)butanoate is sourced from PubChem (CID 59918636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).