2-phenylethyl 2,3-dimethoxy-3-phenylprop-2-enoate

C19H20O4 — CID 54290139

IUPAC2-phenylethyl 2,3-dimethoxy-3-phenylprop-2-enoate
SMILESCOC(C(=O)OCCc1ccccc1)=C(OC)c1ccccc1
InChIInChI=1S/C19H20O4/c1-21-17(16-11-7-4-8-12-16)18(22-2)19(20)23-14-13-15-9-5-3-6-10-15/h3-12H,13-14H2,1-2H3
InChIKeyRWXXYHWCGMTXIG-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.43
Rot. Bonds7

About 2-phenylethyl 2,3-dimethoxy-3-phenylprop-2-enoate

2-phenylethyl 2,3-dimethoxy-3-phenylprop-2-enoate (PubChem CID 54290139) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-phenylethyl 2,3-dimethoxy-3-phenylprop-2-enoate.

Molecular Properties

Compound Name2-phenylethyl 2,3-dimethoxy-3-phenylprop-2-enoate
PubChem CID54290139
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name2-phenylethyl 2,3-dimethoxy-3-phenylprop-2-enoate
SMILESCOC(C(=O)OCCc1ccccc1)=C(OC)c1ccccc1
InChIInChI=1S/C19H20O4/c1-21-17(16-11-7-4-8-12-16)18(22-2)19(20)23-14-13-15-9-5-3-6-10-15/h3-12H,13-14H2,1-2H3
InChIKeyRWXXYHWCGMTXIG-UHFFFAOYSA-N
XLogP3.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 2,3-dimethoxy-3-phenylprop-2-enoate?
The IUPAC name of 2-phenylethyl 2,3-dimethoxy-3-phenylprop-2-enoate (CID 54290139) is 2-phenylethyl 2,3-dimethoxy-3-phenylprop-2-enoate.
What is the SMILES notation for 2-phenylethyl 2,3-dimethoxy-3-phenylprop-2-enoate?
The canonical SMILES for 2-phenylethyl 2,3-dimethoxy-3-phenylprop-2-enoate is COC(C(=O)OCCc1ccccc1)=C(OC)c1ccccc1.
What is the InChIKey of 2-phenylethyl 2,3-dimethoxy-3-phenylprop-2-enoate?
The InChIKey is RWXXYHWCGMTXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-21-17(16-11-7-4-8-12-16)18(22-2)19(20)23-14-13-15-9-5-3-6-10-15/h3-12H,13-14H2,1-2H3.
What are the key properties of 2-phenylethyl 2,3-dimethoxy-3-phenylprop-2-enoate?
2-phenylethyl 2,3-dimethoxy-3-phenylprop-2-enoate has a molecular weight of 312.37 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 2,3-dimethoxy-3-phenylprop-2-enoate is sourced from PubChem (CID 54290139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).