2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone

C10H9F3O4 — CID 83950774

IUPAC2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone
SMILESCOc1cc(C(=O)C(F)(F)F)cc(OC)c1O
InChIInChI=1S/C10H9F3O4/c1-16-6-3-5(9(15)10(11,12)13)4-7(17-2)8(6)14/h3-4,14H,1-2H3
InChIKeyXTUGHONQKUSKQJ-UHFFFAOYSA-N
MW250.17 g/mol
LogP2.15
Rot. Bonds3

About 2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone

2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone (PubChem CID 83950774) has the molecular formula C10H9F3O4 and a molecular weight of 250.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone
PubChem CID83950774
Molecular FormulaC10H9F3O4
Molecular Weight250.17 g/mol
Exact Mass250.05
IUPAC Name2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone
SMILESCOc1cc(C(=O)C(F)(F)F)cc(OC)c1O
InChIInChI=1S/C10H9F3O4/c1-16-6-3-5(9(15)10(11,12)13)4-7(17-2)8(6)14/h3-4,14H,1-2H3
InChIKeyXTUGHONQKUSKQJ-UHFFFAOYSA-N
XLogP2.15
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.17
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethanone
CID 2758493
4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride
CID 162316978
2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanone
CID 83951245
1-(3,5-dimethylphenyl)-2,2,2-trifluoroethanone
CID 2758667
2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanone
CID 24726833
(2-amino-4,5-dimethoxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone
CID 22097609
(4-hydroxy-3,5-dimethoxyphenyl)-pyrrolidin-1-ylmethanone
CID 13410310
1-(4-hydroxy-3,5-dimethoxyphenyl)pentane-1,2-dione
CID 134612547
1-(3,4-difluoro-5-methoxyphenyl)-2,2,3,3,4,4,4-heptafluorobutan-1-one
CID 146006052
3-(2,2-dimethylpropyl)-4-hydroxy-5-methoxybenzoic acid
CID 163051387
1-(3-ethoxy-4-fluorophenyl)-2,2,2-trifluoroethanone
CID 91656438
1-(4-bromo-2-methoxy-5-methylphenyl)-2,2,2-trifluoroethanone
CID 169256767

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone (CID 83950774) is 2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone is COc1cc(C(=O)C(F)(F)F)cc(OC)c1O.
What is the InChIKey of 2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone?
The InChIKey is XTUGHONQKUSKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O4/c1-16-6-3-5(9(15)10(11,12)13)4-7(17-2)8(6)14/h3-4,14H,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone?
2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone has a molecular weight of 250.17 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone is sourced from PubChem (CID 83950774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).