2-deuterio-3-(2,6-dimethoxyphenyl)-1-phenylpropan-1-one

C17H18O3 — CID 154722868

IUPAC2-deuterio-3-(2,6-dimethoxyphenyl)-1-phenylpropan-1-one
SMILES[2H]C(Cc1c(OC)cccc1OC)C(=O)c1ccccc1
InChIInChI=1S/C17H18O3/c1-19-16-9-6-10-17(20-2)14(16)11-12-15(18)13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3/i12D
InChIKeyYYJOCQBAQAMNPV-UQBWLURTSA-N
MW271.33 g/mol
LogP3.52
Rot. Bonds6

About 2-deuterio-3-(2,6-dimethoxyphenyl)-1-phenylpropan-1-one

2-deuterio-3-(2,6-dimethoxyphenyl)-1-phenylpropan-1-one (PubChem CID 154722868) has the molecular formula C17H18O3 and a molecular weight of 271.33 g/mol. Its IUPAC name is 2-deuterio-3-(2,6-dimethoxyphenyl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-deuterio-3-(2,6-dimethoxyphenyl)-1-phenylpropan-1-one
PubChem CID154722868
Molecular FormulaC17H18O3
Molecular Weight271.33 g/mol
Exact Mass271.13
IUPAC Name2-deuterio-3-(2,6-dimethoxyphenyl)-1-phenylpropan-1-one
SMILES[2H]C(Cc1c(OC)cccc1OC)C(=O)c1ccccc1
InChIInChI=1S/C17H18O3/c1-19-16-9-6-10-17(20-2)14(16)11-12-15(18)13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3/i12D
InChIKeyYYJOCQBAQAMNPV-UQBWLURTSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hydroxy-6-methoxyphenyl)methyl benzoate
CID 127260385
3-(3-methoxy-2-propoxyphenyl)-1-phenylpropan-1-one
CID 82185105
1-(2,6-dimethoxyphenyl)pentan-3-one
CID 116811041
2-methoxy-1,4-diphenylbutane-1,4-dione
CID 11459858
1-phenyl-2-(2,3,4-trimethoxyphenyl)ethanone
CID 10108046
4-(2-bromo-6-methoxyphenoxy)-1-phenylbutan-1-one
CID 83136474
N,N-dibenzyl-3-(2,6-dimethoxyphenyl)propanamide
CID 100789556
3-(5-fluoro-2-methoxyphenyl)-1-phenylpropan-1-one
CID 82782955
N-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide
CID 7079
3-(4-methoxyindol-1-yl)-1-phenylpropan-1-one
CID 116691996
(2-hydroxy-4-methoxy-3-propylphenyl)-phenylmethanone
CID 86122742
3-(2,6-dimethoxyphenyl)-N-(2-methoxyphenyl)propanamide
CID 100789518

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-3-(2,6-dimethoxyphenyl)-1-phenylpropan-1-one?
The IUPAC name of 2-deuterio-3-(2,6-dimethoxyphenyl)-1-phenylpropan-1-one (CID 154722868) is 2-deuterio-3-(2,6-dimethoxyphenyl)-1-phenylpropan-1-one.
What is the SMILES notation for 2-deuterio-3-(2,6-dimethoxyphenyl)-1-phenylpropan-1-one?
The canonical SMILES for 2-deuterio-3-(2,6-dimethoxyphenyl)-1-phenylpropan-1-one is [2H]C(Cc1c(OC)cccc1OC)C(=O)c1ccccc1.
What is the InChIKey of 2-deuterio-3-(2,6-dimethoxyphenyl)-1-phenylpropan-1-one?
The InChIKey is YYJOCQBAQAMNPV-UQBWLURTSA-N. The full InChI is InChI=1S/C17H18O3/c1-19-16-9-6-10-17(20-2)14(16)11-12-15(18)13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3/i12D.
What are the key properties of 2-deuterio-3-(2,6-dimethoxyphenyl)-1-phenylpropan-1-one?
2-deuterio-3-(2,6-dimethoxyphenyl)-1-phenylpropan-1-one has a molecular weight of 271.33 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-3-(2,6-dimethoxyphenyl)-1-phenylpropan-1-one is sourced from PubChem (CID 154722868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).