methyl 3-(4-but-2-enoxyphenyl)propanoate

C14H18O3 — CID 71395339

IUPACmethyl 3-(4-but-2-enoxyphenyl)propanoate
SMILESCC=CCOc1ccc(CCC(=O)OC)cc1
InChIInChI=1S/C14H18O3/c1-3-4-11-17-13-8-5-12(6-9-13)7-10-14(15)16-2/h3-6,8-9H,7,10-11H2,1-2H3
InChIKeyMBYFDUOAWLGLBO-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.75
Rot. Bonds6

About methyl 3-(4-but-2-enoxyphenyl)propanoate

methyl 3-(4-but-2-enoxyphenyl)propanoate (PubChem CID 71395339) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is methyl 3-(4-but-2-enoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-but-2-enoxyphenyl)propanoate
PubChem CID71395339
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Namemethyl 3-(4-but-2-enoxyphenyl)propanoate
SMILESCC=CCOc1ccc(CCC(=O)OC)cc1
InChIInChI=1S/C14H18O3/c1-3-4-11-17-13-8-5-12(6-9-13)7-10-14(15)16-2/h3-6,8-9H,7,10-11H2,1-2H3
InChIKeyMBYFDUOAWLGLBO-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 3-[4-[4-(3-methoxy-3-oxopropyl)phenoxy]phenyl]propanoate
CID 12706785
methyl 3-(4-propoxyphenyl)propanoate
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methyl 3-[4-(2-chloroethoxy)phenyl]propanoate
CID 67053705
methyl 3-[4-[(4-aminophenyl)methoxy]phenyl]propanoate
CID 23143251
methyl 3-(4-heptoxyphenyl)propanoate
CID 82646253
methyl 3-[4-[3-(3-hydroxypropylamino)propoxy]phenyl]propanoate
CID 70495542
1-but-2-enoxy-4-but-2-enylbenzene
CID 70608541
methyl 4-[4-(3-oxobutyl)phenoxy]butanoate
CID 43378030
methyl hypoiodite;methyl 3-(4-phenylmethoxyphenyl)propanoate
CID 142194241
methyl 3-(4-phenylmethoxyphenyl)propanoate;3-(4-phenylmethoxyphenyl)propanoic acid
CID 161360857
methyl 3-(4-formylphenyl)propanoate
CID 11063253
methyl 3-[4-(bromomethyl)phenyl]propanoate
CID 54283580

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-but-2-enoxyphenyl)propanoate?
The IUPAC name of methyl 3-(4-but-2-enoxyphenyl)propanoate (CID 71395339) is methyl 3-(4-but-2-enoxyphenyl)propanoate.
What is the SMILES notation for methyl 3-(4-but-2-enoxyphenyl)propanoate?
The canonical SMILES for methyl 3-(4-but-2-enoxyphenyl)propanoate is CC=CCOc1ccc(CCC(=O)OC)cc1.
What is the InChIKey of methyl 3-(4-but-2-enoxyphenyl)propanoate?
The InChIKey is MBYFDUOAWLGLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-3-4-11-17-13-8-5-12(6-9-13)7-10-14(15)16-2/h3-6,8-9H,7,10-11H2,1-2H3.
What are the key properties of methyl 3-(4-but-2-enoxyphenyl)propanoate?
methyl 3-(4-but-2-enoxyphenyl)propanoate 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 3-(4-but-2-enoxyphenyl)propanoate is sourced from PubChem (CID 71395339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).