2-methylpropyl (E)-3-(3-hydroxy-2,4-dimethoxyphenyl)prop-2-enoate

C15H20O5 — CID 23124921

IUPAC2-methylpropyl (E)-3-(3-hydroxy-2,4-dimethoxyphenyl)prop-2-enoate
SMILESCOc1ccc(/C=C/C(=O)OCC(C)C)c(OC)c1O
InChIInChI=1S/C15H20O5/c1-10(2)9-20-13(16)8-6-11-5-7-12(18-3)14(17)15(11)19-4/h5-8,10,17H,9H2,1-4H3/b8-6+
InChIKeyPPGFYIDRGYSGAV-SOFGYWHQSA-N
MW280.32 g/mol
LogP2.62
Rot. Bonds6

About 2-methylpropyl (E)-3-(3-hydroxy-2,4-dimethoxyphenyl)prop-2-enoate

2-methylpropyl (E)-3-(3-hydroxy-2,4-dimethoxyphenyl)prop-2-enoate (PubChem CID 23124921) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-methylpropyl (E)-3-(3-hydroxy-2,4-dimethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name2-methylpropyl (E)-3-(3-hydroxy-2,4-dimethoxyphenyl)prop-2-enoate
PubChem CID23124921
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name2-methylpropyl (E)-3-(3-hydroxy-2,4-dimethoxyphenyl)prop-2-enoate
SMILESCOc1ccc(/C=C/C(=O)OCC(C)C)c(OC)c1O
InChIInChI=1S/C15H20O5/c1-10(2)9-20-13(16)8-6-11-5-7-12(18-3)14(17)15(11)19-4/h5-8,10,17H,9H2,1-4H3/b8-6+
InChIKeyPPGFYIDRGYSGAV-SOFGYWHQSA-N
XLogP2.62
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl (E)-3-(3-hydroxy-2,4-dimethoxyphenyl)prop-2-enoate?
The IUPAC name of 2-methylpropyl (E)-3-(3-hydroxy-2,4-dimethoxyphenyl)prop-2-enoate (CID 23124921) is 2-methylpropyl (E)-3-(3-hydroxy-2,4-dimethoxyphenyl)prop-2-enoate.
What is the SMILES notation for 2-methylpropyl (E)-3-(3-hydroxy-2,4-dimethoxyphenyl)prop-2-enoate?
The canonical SMILES for 2-methylpropyl (E)-3-(3-hydroxy-2,4-dimethoxyphenyl)prop-2-enoate is COc1ccc(/C=C/C(=O)OCC(C)C)c(OC)c1O.
What is the InChIKey of 2-methylpropyl (E)-3-(3-hydroxy-2,4-dimethoxyphenyl)prop-2-enoate?
The InChIKey is PPGFYIDRGYSGAV-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H20O5/c1-10(2)9-20-13(16)8-6-11-5-7-12(18-3)14(17)15(11)19-4/h5-8,10,17H,9H2,1-4H3/b8-6+.
What are the key properties of 2-methylpropyl (E)-3-(3-hydroxy-2,4-dimethoxyphenyl)prop-2-enoate?
2-methylpropyl (E)-3-(3-hydroxy-2,4-dimethoxyphenyl)prop-2-enoate has a molecular weight of 280.32 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl (E)-3-(3-hydroxy-2,4-dimethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 23124921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).