methyl 2-(4-methoxy-3-prop-2-enylphenyl)propanoate

C14H18O3 — CID 58973658

IUPACmethyl 2-(4-methoxy-3-prop-2-enylphenyl)propanoate
SMILESC=CCc1cc(C(C)C(=O)OC)ccc1OC
InChIInChI=1S/C14H18O3/c1-5-6-12-9-11(7-8-13(12)16-3)10(2)14(15)17-4/h5,7-10H,1,6H2,2-4H3
InChIKeyQYRKSNFJUNPWSB-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.70
Rot. Bonds5

About methyl 2-(4-methoxy-3-prop-2-enylphenyl)propanoate

methyl 2-(4-methoxy-3-prop-2-enylphenyl)propanoate (PubChem CID 58973658) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is methyl 2-(4-methoxy-3-prop-2-enylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(4-methoxy-3-prop-2-enylphenyl)propanoate
PubChem CID58973658
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Namemethyl 2-(4-methoxy-3-prop-2-enylphenyl)propanoate
SMILESC=CCc1cc(C(C)C(=O)OC)ccc1OC
InChIInChI=1S/C14H18O3/c1-5-6-12-9-11(7-8-13(12)16-3)10(2)14(15)17-4/h5,7-10H,1,6H2,2-4H3
InChIKeyQYRKSNFJUNPWSB-UHFFFAOYSA-N
XLogP2.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.70
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 2-(3,4-diethoxyphenyl)propanoate
CID 55071930
methyl 2-(3,4-dimethoxyphenyl)but-3-enoate
CID 143227806
2-[3-(fluoromethyl)-4-methoxyphenyl]propanoic acid
CID 117302887
2-(3-ethyl-4-methoxyphenyl)-N-methylpropanehydrazide
CID 116845766
methyl 2-(3-methoxy-4-nitrophenyl)propanoate
CID 119092971
methyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate
CID 116856998
methyl 2-[2-[[2-(4-methoxy-3-prop-2-enylphenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]propanoylamino]-3-prop-2-enoxypropanoate
CID 123813275
methyl 2-[4-[methyl(prop-2-enyl)amino]phenyl]propanoate
CID 57471710
1-methoxy-4-(4-methoxy-3-prop-2-enylphenoxy)-2-prop-2-enylbenzene
CID 144777892
2-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 142888646
methyl (2S)-2-[1-(3,4-dimethoxyphenyl)ethylamino]-3-methylbutanoate
CID 43452132
methyl 2-(3-bromo-4-propan-2-yloxyphenyl)propanoate
CID 105426774

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxy-3-prop-2-enylphenyl)propanoate?
The IUPAC name of methyl 2-(4-methoxy-3-prop-2-enylphenyl)propanoate (CID 58973658) is methyl 2-(4-methoxy-3-prop-2-enylphenyl)propanoate.
What is the SMILES notation for methyl 2-(4-methoxy-3-prop-2-enylphenyl)propanoate?
The canonical SMILES for methyl 2-(4-methoxy-3-prop-2-enylphenyl)propanoate is C=CCc1cc(C(C)C(=O)OC)ccc1OC.
What is the InChIKey of methyl 2-(4-methoxy-3-prop-2-enylphenyl)propanoate?
The InChIKey is QYRKSNFJUNPWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-5-6-12-9-11(7-8-13(12)16-3)10(2)14(15)17-4/h5,7-10H,1,6H2,2-4H3.
What are the key properties of methyl 2-(4-methoxy-3-prop-2-enylphenyl)propanoate?
methyl 2-(4-methoxy-3-prop-2-enylphenyl)propanoate has a molecular weight of 234.29 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxy-3-prop-2-enylphenyl)propanoate is sourced from PubChem (CID 58973658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).