(2R)-2-hydroxy-1-[3-methoxy-4-(methoxymethoxy)phenyl]propan-1-one

C12H16O5 — CID 102213329

IUPAC(2R)-2-hydroxy-1-[3-methoxy-4-(methoxymethoxy)phenyl]propan-1-one
SMILESCOCOc1ccc(C(=O)[C@@H](C)O)cc1OC
InChIInChI=1S/C12H16O5/c1-8(13)12(14)9-4-5-10(17-7-15-2)11(6-9)16-3/h4-6,8,13H,7H2,1-3H3/t8-/m1/s1
InChIKeyFFTKMHCOWVTBFG-MRVPVSSYSA-N
MW240.25 g/mol
LogP1.24
Rot. Bonds6

About (2R)-2-hydroxy-1-[3-methoxy-4-(methoxymethoxy)phenyl]propan-1-one

(2R)-2-hydroxy-1-[3-methoxy-4-(methoxymethoxy)phenyl]propan-1-one (PubChem CID 102213329) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is (2R)-2-hydroxy-1-[3-methoxy-4-(methoxymethoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-hydroxy-1-[3-methoxy-4-(methoxymethoxy)phenyl]propan-1-one
PubChem CID102213329
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name(2R)-2-hydroxy-1-[3-methoxy-4-(methoxymethoxy)phenyl]propan-1-one
SMILESCOCOc1ccc(C(=O)[C@@H](C)O)cc1OC
InChIInChI=1S/C12H16O5/c1-8(13)12(14)9-4-5-10(17-7-15-2)11(6-9)16-3/h4-6,8,13H,7H2,1-3H3/t8-/m1/s1
InChIKeyFFTKMHCOWVTBFG-MRVPVSSYSA-N
XLogP1.24
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 ≤ 51.24
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

[4-(2-hydroxypropanoyl)-2-methoxyphenyl] acetate
CID 54123308
(1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol
CID 65364454
1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one
CID 26422
3,4-bis(methoxymethoxy)benzoic acid
CID 10421835
2-[2-methoxy-4-(2-methylpropanoyl)phenoxy]acetic acid
CID 154135736
1-[3-methoxy-4-(methoxymethoxy)phenyl]-3-pyridin-4-ylpropane-1,3-dione
CID 134180652
3-(3,4-dimethoxyphenyl)-2-methyl-3-oxopropanoic acid
CID 116918171
4-(methoxymethoxy)-3-propan-2-ylbenzoic acid
CID 164892352
(2S)-3-(3,4-dimethoxyphenyl)-2-methyl-3-oxopropanenitrile
CID 34957180
bis(3,4-dimethoxybenzoic acid);propane-1,2-diol
CID 70546989
(1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]prop-2-en-1-ol
CID 125478495
1-[3-methoxy-4-(methoxymethoxy)phenyl]-3-pyridin-3-ylpropane-1,3-dione
CID 134180858

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-1-[3-methoxy-4-(methoxymethoxy)phenyl]propan-1-one?
The IUPAC name of (2R)-2-hydroxy-1-[3-methoxy-4-(methoxymethoxy)phenyl]propan-1-one (CID 102213329) is (2R)-2-hydroxy-1-[3-methoxy-4-(methoxymethoxy)phenyl]propan-1-one.
What is the SMILES notation for (2R)-2-hydroxy-1-[3-methoxy-4-(methoxymethoxy)phenyl]propan-1-one?
The canonical SMILES for (2R)-2-hydroxy-1-[3-methoxy-4-(methoxymethoxy)phenyl]propan-1-one is COCOc1ccc(C(=O)[C@@H](C)O)cc1OC.
What is the InChIKey of (2R)-2-hydroxy-1-[3-methoxy-4-(methoxymethoxy)phenyl]propan-1-one?
The InChIKey is FFTKMHCOWVTBFG-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16O5/c1-8(13)12(14)9-4-5-10(17-7-15-2)11(6-9)16-3/h4-6,8,13H,7H2,1-3H3/t8-/m1/s1.
What are the key properties of (2R)-2-hydroxy-1-[3-methoxy-4-(methoxymethoxy)phenyl]propan-1-one?
(2R)-2-hydroxy-1-[3-methoxy-4-(methoxymethoxy)phenyl]propan-1-one has a molecular weight of 240.25 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-1-[3-methoxy-4-(methoxymethoxy)phenyl]propan-1-one is sourced from PubChem (CID 102213329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).