2-(3,5-dimethoxyphenyl)-2-hydroxy-1-phenylethanone phosphate

C16H16O8P-3 — CID 19390355

IUPAC2-(3,5-dimethoxyphenyl)-2-hydroxy-1-phenylethanone phosphate
SMILESCOc1cc(OC)cc(C(O)C(=O)c2ccccc2)c1.O=P([O-])([O-])[O-]
InChIInChI=1S/C16H16O4.H3O4P/c1-19-13-8-12(9-14(10-13)20-2)16(18)15(17)11-6-4-3-5-7-11;1-5(2,3)4/h3-10,16,18H,1-2H3;(H3,1,2,3,4)/p-3
InChIKeyDRINDTYOBNMGEA-UHFFFAOYSA-K
MW367.27 g/mol
LogP-0.20
Rot. Bonds5

About 2-(3,5-dimethoxyphenyl)-2-hydroxy-1-phenylethanone phosphate

2-(3,5-dimethoxyphenyl)-2-hydroxy-1-phenylethanone phosphate (PubChem CID 19390355) has the molecular formula C16H16O8P-3 and a molecular weight of 367.27 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-2-hydroxy-1-phenylethanone phosphate.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-2-hydroxy-1-phenylethanone phosphate
PubChem CID19390355
Molecular FormulaC16H16O8P-3
Molecular Weight367.27 g/mol
Exact Mass367.06
IUPAC Name2-(3,5-dimethoxyphenyl)-2-hydroxy-1-phenylethanone phosphate
SMILESCOc1cc(OC)cc(C(O)C(=O)c2ccccc2)c1.O=P([O-])([O-])[O-]
InChIInChI=1S/C16H16O4.H3O4P/c1-19-13-8-12(9-14(10-13)20-2)16(18)15(17)11-6-4-3-5-7-11;1-5(2,3)4/h3-10,16,18H,1-2H3;(H3,1,2,3,4)/p-3
InChIKeyDRINDTYOBNMGEA-UHFFFAOYSA-K
XLogP-0.20
TPSA142.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-2-(4-methoxy-3-methylphenyl)-1-phenylethanone
CID 129094734
2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid
CID 22346233
[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] diethyl phosphate
CID 10319264
2-hydroxy-1,2-diphenylethanone
CID 159399559
2-(2-bromo-5-methoxyphenyl)-2-hydroxy-1-phenylethanone
CID 150726546
(2-oxo-1,2-diphenylethyl) 3,5-dimethoxybenzoate
CID 23855920
2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-phenylethanone
CID 129094735
2-hydroxy-1,2-diphenylethanone;silyloxysilane
CID 173133276
formaldehyde;bis(2-hydroxy-1,2-diphenylethanone)
CID 174440021
deuterium monohydride;2-hydroxy-1,2-diphenylethanone
CID 158356694
2-hydroxy-1-phenyl-2-(4-propan-2-ylphenyl)ethanone
CID 23513084
2-bis(4-methoxyphenyl)phosphoryl-1,2-diphenylethanone
CID 155683528

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-2-hydroxy-1-phenylethanone phosphate?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-2-hydroxy-1-phenylethanone phosphate (CID 19390355) is 2-(3,5-dimethoxyphenyl)-2-hydroxy-1-phenylethanone phosphate.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-2-hydroxy-1-phenylethanone phosphate?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-2-hydroxy-1-phenylethanone phosphate is COc1cc(OC)cc(C(O)C(=O)c2ccccc2)c1.O=P([O-])([O-])[O-].
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-2-hydroxy-1-phenylethanone phosphate?
The InChIKey is DRINDTYOBNMGEA-UHFFFAOYSA-K. The full InChI is InChI=1S/C16H16O4.H3O4P/c1-19-13-8-12(9-14(10-13)20-2)16(18)15(17)11-6-4-3-5-7-11;1-5(2,3)4/h3-10,16,18H,1-2H3;(H3,1,2,3,4)/p-3.
What are the key properties of 2-(3,5-dimethoxyphenyl)-2-hydroxy-1-phenylethanone phosphate?
2-(3,5-dimethoxyphenyl)-2-hydroxy-1-phenylethanone phosphate has a molecular weight of 367.27 g/mol, XLogP of -0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-2-hydroxy-1-phenylethanone phosphate is sourced from PubChem (CID 19390355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).