methoxymethyl 3-(4-methoxyphenyl)-2-methyl-3-oxo-2-phenylpropanoate

C19H20O5 — CID 174505893

IUPACmethoxymethyl 3-(4-methoxyphenyl)-2-methyl-3-oxo-2-phenylpropanoate
SMILESCOCOC(=O)C(C)(C(=O)c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C19H20O5/c1-19(18(21)24-13-22-2,15-7-5-4-6-8-15)17(20)14-9-11-16(23-3)12-10-14/h4-12H,13H2,1-3H3
InChIKeyDKDMPHLAXFOHSM-UHFFFAOYSA-N
MW328.36 g/mol
LogP2.98
Rot. Bonds7

About methoxymethyl 3-(4-methoxyphenyl)-2-methyl-3-oxo-2-phenylpropanoate

methoxymethyl 3-(4-methoxyphenyl)-2-methyl-3-oxo-2-phenylpropanoate (PubChem CID 174505893) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is methoxymethyl 3-(4-methoxyphenyl)-2-methyl-3-oxo-2-phenylpropanoate.

Molecular Properties

Compound Namemethoxymethyl 3-(4-methoxyphenyl)-2-methyl-3-oxo-2-phenylpropanoate
PubChem CID174505893
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Namemethoxymethyl 3-(4-methoxyphenyl)-2-methyl-3-oxo-2-phenylpropanoate
SMILESCOCOC(=O)C(C)(C(=O)c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C19H20O5/c1-19(18(21)24-13-22-2,15-7-5-4-6-8-15)17(20)14-9-11-16(23-3)12-10-14/h4-12H,13H2,1-3H3
InChIKeyDKDMPHLAXFOHSM-UHFFFAOYSA-N
XLogP2.98
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethoxy)-2-methoxy-1-(4-methoxyphenyl)-2-phenylethanone
CID 139805914
2-hydroxy-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one
CID 12559074
(4-methoxyphenyl)methyl 2-hydroxy-2,2-diphenylacetate
CID 16577341
2-bromo-1,2-bis(4-methoxyphenyl)propan-1-one
CID 129261159
amino 2-(4-hydroxyphenyl)-2-methyl-3-oxo-3-phenylpropanoate
CID 175240791
(2S,3S)-2,3-dihydroxy-2,3-bis(4-methoxybenzoyl)butanedioic acid
CID 66875563
1-hydroxy-1-(4-methoxyphenyl)-1-phenylpropan-2-one
CID 141100176
2-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-1,2-diphenylethanone
CID 102309823
4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707
1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;terephthalic acid
CID 22421309
diethyl 2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]-2-(2,2-dimethylpropanoyloxy)propanedioate
CID 66672416

Frequently Asked Questions

What is the IUPAC name of methoxymethyl 3-(4-methoxyphenyl)-2-methyl-3-oxo-2-phenylpropanoate?
The IUPAC name of methoxymethyl 3-(4-methoxyphenyl)-2-methyl-3-oxo-2-phenylpropanoate (CID 174505893) is methoxymethyl 3-(4-methoxyphenyl)-2-methyl-3-oxo-2-phenylpropanoate.
What is the SMILES notation for methoxymethyl 3-(4-methoxyphenyl)-2-methyl-3-oxo-2-phenylpropanoate?
The canonical SMILES for methoxymethyl 3-(4-methoxyphenyl)-2-methyl-3-oxo-2-phenylpropanoate is COCOC(=O)C(C)(C(=O)c1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of methoxymethyl 3-(4-methoxyphenyl)-2-methyl-3-oxo-2-phenylpropanoate?
The InChIKey is DKDMPHLAXFOHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-19(18(21)24-13-22-2,15-7-5-4-6-8-15)17(20)14-9-11-16(23-3)12-10-14/h4-12H,13H2,1-3H3.
What are the key properties of methoxymethyl 3-(4-methoxyphenyl)-2-methyl-3-oxo-2-phenylpropanoate?
methoxymethyl 3-(4-methoxyphenyl)-2-methyl-3-oxo-2-phenylpropanoate has a molecular weight of 328.36 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl 3-(4-methoxyphenyl)-2-methyl-3-oxo-2-phenylpropanoate is sourced from PubChem (CID 174505893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).