2-[4-(2-hydroxy-2-phenylacetyl)phenoxy]ethyl 2-methylprop-2-enoate

C20H20O5 — CID 153322915

IUPAC2-[4-(2-hydroxy-2-phenylacetyl)phenoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOc1ccc(C(=O)C(O)c2ccccc2)cc1
InChIInChI=1S/C20H20O5/c1-14(2)20(23)25-13-12-24-17-10-8-16(9-11-17)19(22)18(21)15-6-4-3-5-7-15/h3-11,18,21H,1,12-13H2,2H3
InChIKeyQMKRGQKBFNYJLJ-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.10
Rot. Bonds8

About 2-[4-(2-hydroxy-2-phenylacetyl)phenoxy]ethyl 2-methylprop-2-enoate

2-[4-(2-hydroxy-2-phenylacetyl)phenoxy]ethyl 2-methylprop-2-enoate (PubChem CID 153322915) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[4-(2-hydroxy-2-phenylacetyl)phenoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[4-(2-hydroxy-2-phenylacetyl)phenoxy]ethyl 2-methylprop-2-enoate
PubChem CID153322915
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name2-[4-(2-hydroxy-2-phenylacetyl)phenoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOc1ccc(C(=O)C(O)c2ccccc2)cc1
InChIInChI=1S/C20H20O5/c1-14(2)20(23)25-13-12-24-17-10-8-16(9-11-17)19(22)18(21)15-6-4-3-5-7-15/h3-11,18,21H,1,12-13H2,2H3
InChIKeyQMKRGQKBFNYJLJ-UHFFFAOYSA-N
XLogP3.10
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[4-(2-hydroxy-2-phenylacetyl)phenoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[4-(2-hydroxy-2-phenylacetyl)phenoxy]ethyl 2-methylprop-2-enoate (CID 153322915) is 2-[4-(2-hydroxy-2-phenylacetyl)phenoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[4-(2-hydroxy-2-phenylacetyl)phenoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[4-(2-hydroxy-2-phenylacetyl)phenoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOc1ccc(C(=O)C(O)c2ccccc2)cc1.
What is the InChIKey of 2-[4-(2-hydroxy-2-phenylacetyl)phenoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is QMKRGQKBFNYJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O5/c1-14(2)20(23)25-13-12-24-17-10-8-16(9-11-17)19(22)18(21)15-6-4-3-5-7-15/h3-11,18,21H,1,12-13H2,2H3.
What are the key properties of 2-[4-(2-hydroxy-2-phenylacetyl)phenoxy]ethyl 2-methylprop-2-enoate?
2-[4-(2-hydroxy-2-phenylacetyl)phenoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 340.38 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxy-2-phenylacetyl)phenoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 153322915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).