[4-(2-hydroxy-2-phenylacetyl)phenyl] prop-2-enoate;methoxymethane

C19H20O5 — CID 175164297

IUPAC[4-(2-hydroxy-2-phenylacetyl)phenyl] prop-2-enoate;methoxymethane
SMILESC=CC(=O)Oc1ccc(C(=O)C(O)c2ccccc2)cc1.COC
InChIInChI=1S/C17H14O4.C2H6O/c1-2-15(18)21-14-10-8-13(9-11-14)17(20)16(19)12-6-4-3-5-7-12;1-3-2/h2-11,16,19H,1H2;1-2H3
InChIKeyWVACHKXBMBHMDK-UHFFFAOYSA-N
MW328.36 g/mol
LogP2.96
Rot. Bonds5

About [4-(2-hydroxy-2-phenylacetyl)phenyl] prop-2-enoate;methoxymethane

[4-(2-hydroxy-2-phenylacetyl)phenyl] prop-2-enoate;methoxymethane (PubChem CID 175164297) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is [4-(2-hydroxy-2-phenylacetyl)phenyl] prop-2-enoate;methoxymethane.

Molecular Properties

Compound Name[4-(2-hydroxy-2-phenylacetyl)phenyl] prop-2-enoate;methoxymethane
PubChem CID175164297
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name[4-(2-hydroxy-2-phenylacetyl)phenyl] prop-2-enoate;methoxymethane
SMILESC=CC(=O)Oc1ccc(C(=O)C(O)c2ccccc2)cc1.COC
InChIInChI=1S/C17H14O4.C2H6O/c1-2-15(18)21-14-10-8-13(9-11-14)17(20)16(19)12-6-4-3-5-7-12;1-3-2/h2-11,16,19H,1H2;1-2H3
InChIKeyWVACHKXBMBHMDK-UHFFFAOYSA-N
XLogP2.96
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

butyl prop-2-enoate;2-hydroxy-1,2-diphenylethanone;methoxymethane
CID 174584403
2-hydroxy-1,2-diphenylethanone;prop-2-enoic acid
CID 57368066
(4-phenylperoxyphenyl) prop-2-enoate
CID 163991970
formaldehyde;bis(2-hydroxy-1,2-diphenylethanone)
CID 174440021
2-hydroxy-1,2-diphenylethanone
CID 159399559
methyl 4-prop-2-enoyloxybenzoate
CID 18402609
2-hydroxy-1,2-diphenylethanone;silyloxysilane
CID 173133276
(4-hydroxyphenyl) prop-2-enoate;methoxymethane
CID 67882332
[4-(4-benzoylphenoxy)carbonyloxyphenyl] prop-2-enoate
CID 151151993
[4-[2-(4-benzhydrylphenyl)ethenyl]phenyl] prop-2-enoate
CID 58203279
deuterium monohydride;2-hydroxy-1,2-diphenylethanone
CID 158356694
phenyl prop-2-enoate;triphenylene
CID 159225619

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxy-2-phenylacetyl)phenyl] prop-2-enoate;methoxymethane?
The IUPAC name of [4-(2-hydroxy-2-phenylacetyl)phenyl] prop-2-enoate;methoxymethane (CID 175164297) is [4-(2-hydroxy-2-phenylacetyl)phenyl] prop-2-enoate;methoxymethane.
What is the SMILES notation for [4-(2-hydroxy-2-phenylacetyl)phenyl] prop-2-enoate;methoxymethane?
The canonical SMILES for [4-(2-hydroxy-2-phenylacetyl)phenyl] prop-2-enoate;methoxymethane is C=CC(=O)Oc1ccc(C(=O)C(O)c2ccccc2)cc1.COC.
What is the InChIKey of [4-(2-hydroxy-2-phenylacetyl)phenyl] prop-2-enoate;methoxymethane?
The InChIKey is WVACHKXBMBHMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4.C2H6O/c1-2-15(18)21-14-10-8-13(9-11-14)17(20)16(19)12-6-4-3-5-7-12;1-3-2/h2-11,16,19H,1H2;1-2H3.
What are the key properties of [4-(2-hydroxy-2-phenylacetyl)phenyl] prop-2-enoate;methoxymethane?
[4-(2-hydroxy-2-phenylacetyl)phenyl] prop-2-enoate;methoxymethane has a molecular weight of 328.36 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxy-2-phenylacetyl)phenyl] prop-2-enoate;methoxymethane is sourced from PubChem (CID 175164297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).