(2R)-2-hydroxy-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-one

C12H16O5 — CID 11424975

IUPAC(2R)-2-hydroxy-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)[C@H](O)C(OC)OC)cc1
InChIInChI=1S/C12H16O5/c1-15-9-6-4-8(5-7-9)10(13)11(14)12(16-2)17-3/h4-7,11-12,14H,1-3H3/t11-/m0/s1
InChIKeyRLEMMYWHQVZXHM-NSHDSACASA-N
MW240.25 g/mol
LogP0.86
Rot. Bonds6

About (2R)-2-hydroxy-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-one

(2R)-2-hydroxy-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-one (PubChem CID 11424975) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is (2R)-2-hydroxy-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-hydroxy-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-one
PubChem CID11424975
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name(2R)-2-hydroxy-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)[C@H](O)C(OC)OC)cc1
InChIInChI=1S/C12H16O5/c1-15-9-6-4-8(5-7-9)10(13)11(14)12(16-2)17-3/h4-7,11-12,14H,1-3H3/t11-/m0/s1
InChIKeyRLEMMYWHQVZXHM-NSHDSACASA-N
XLogP0.86
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis(4-methoxybenzoyl)-1,4-bis(4-methoxyphenyl)butane-1,4-dione
CID 3648673
sodium;2,2-dihydroxy-1-(4-methoxyphenyl)ethanone;hydride
CID 173420090
2,2-difluoro-1-(4-methoxyphenyl)ethanone
CID 11593558
1-(4-methoxyphenyl)-2-methylsulfinylpropan-1-one
CID 64640564
1-(4-methoxyphenyl)-2-methylbutan-1-one
CID 12600283
(2S)-2-bromo-1,2-bis(4-methoxyphenyl)ethanone
CID 40529587
2,2-diethoxy-1-(4-methoxyphenyl)ethanone
CID 10130946
(2S)-1-(4-methoxyphenyl)-2-(methylamino)propan-1-one
CID 51371469
(2S,3R)-1-(4-methoxyphenyl)-2,3-dimethylpent-4-en-1-one
CID 132529754
[(2R)-2-amino-3-(4-methoxyphenyl)-3-oxopropyl] acetate
CID 11323292
(2R,3R)-4,4,4-trifluoro-3-hydroxy-1-(4-methoxyphenyl)-2-methylbutan-1-one
CID 101058066
2-bromo-1-(4-methoxyphenyl)butan-1-one
CID 3156988

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-one?
The IUPAC name of (2R)-2-hydroxy-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-one (CID 11424975) is (2R)-2-hydroxy-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for (2R)-2-hydroxy-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for (2R)-2-hydroxy-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-one is COc1ccc(C(=O)[C@H](O)C(OC)OC)cc1.
What is the InChIKey of (2R)-2-hydroxy-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-one?
The InChIKey is RLEMMYWHQVZXHM-NSHDSACASA-N. The full InChI is InChI=1S/C12H16O5/c1-15-9-6-4-8(5-7-9)10(13)11(14)12(16-2)17-3/h4-7,11-12,14H,1-3H3/t11-/m0/s1.
What are the key properties of (2R)-2-hydroxy-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-one?
(2R)-2-hydroxy-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-one has a molecular weight of 240.25 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 11424975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).