1-(2,3-dimethoxyphenyl)-2-hydroxy-2-phenylethanone;prop-2-enoic acid

C19H20O6 — CID 70348644

IUPAC1-(2,3-dimethoxyphenyl)-2-hydroxy-2-phenylethanone;prop-2-enoic acid
SMILESC=CC(=O)O.COc1cccc(C(=O)C(O)c2ccccc2)c1OC
InChIInChI=1S/C16H16O4.C3H4O2/c1-19-13-10-6-9-12(16(13)20-2)15(18)14(17)11-7-4-3-5-8-11;1-2-3(4)5/h3-10,14,17H,1-2H3;2H,1H2,(H,4,5)
InChIKeyDFOGPFOOAGFNTK-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.88
Rot. Bonds6

About 1-(2,3-dimethoxyphenyl)-2-hydroxy-2-phenylethanone;prop-2-enoic acid

1-(2,3-dimethoxyphenyl)-2-hydroxy-2-phenylethanone;prop-2-enoic acid (PubChem CID 70348644) has the molecular formula C19H20O6 and a molecular weight of 344.36 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-2-hydroxy-2-phenylethanone;prop-2-enoic acid.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-2-hydroxy-2-phenylethanone;prop-2-enoic acid
PubChem CID70348644
Molecular FormulaC19H20O6
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name1-(2,3-dimethoxyphenyl)-2-hydroxy-2-phenylethanone;prop-2-enoic acid
SMILESC=CC(=O)O.COc1cccc(C(=O)C(O)c2ccccc2)c1OC
InChIInChI=1S/C16H16O4.C3H4O2/c1-19-13-10-6-9-12(16(13)20-2)15(18)14(17)11-7-4-3-5-8-11;1-2-3(4)5/h3-10,14,17H,1-2H3;2H,1H2,(H,4,5)
InChIKeyDFOGPFOOAGFNTK-UHFFFAOYSA-N
XLogP2.88
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone
CID 103458248
1-[4-(4-fluorobenzoyl)-2,3-dimethoxyphenyl]-2-hydroxy-2-phenylethanone
CID 162359891
prop-2-enoyl chloride;1,2,3-trimethoxybenzene
CID 175437840
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
1-(2,4-difluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone
CID 174661616
1-(2-ethoxyphenyl)-2-hydroxy-2-phenylethanone
CID 22096604
2-hydroxy-2-phenyl-1-[2-(1-phenylethoxy)phenyl]ethanone
CID 175347432
2-(2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 54776000
2,3-dimethoxy-N-sulfanylbenzamide
CID 71771535
1-[2-(ethenylamino)phenyl]-2-hydroxy-2-phenylethanone
CID 70630946
2,3-dimethoxybenzamide;hydrate
CID 141005510

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-2-hydroxy-2-phenylethanone;prop-2-enoic acid?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-2-hydroxy-2-phenylethanone;prop-2-enoic acid (CID 70348644) is 1-(2,3-dimethoxyphenyl)-2-hydroxy-2-phenylethanone;prop-2-enoic acid.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-2-hydroxy-2-phenylethanone;prop-2-enoic acid?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-2-hydroxy-2-phenylethanone;prop-2-enoic acid is C=CC(=O)O.COc1cccc(C(=O)C(O)c2ccccc2)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-2-hydroxy-2-phenylethanone;prop-2-enoic acid?
The InChIKey is DFOGPFOOAGFNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4.C3H4O2/c1-19-13-10-6-9-12(16(13)20-2)15(18)14(17)11-7-4-3-5-8-11;1-2-3(4)5/h3-10,14,17H,1-2H3;2H,1H2,(H,4,5).
What are the key properties of 1-(2,3-dimethoxyphenyl)-2-hydroxy-2-phenylethanone;prop-2-enoic acid?
1-(2,3-dimethoxyphenyl)-2-hydroxy-2-phenylethanone;prop-2-enoic acid has a molecular weight of 344.36 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-2-hydroxy-2-phenylethanone;prop-2-enoic acid is sourced from PubChem (CID 70348644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).