3-methoxy-4-[(2R)-1-methoxy-1-oxopropan-2-yl]oxybenzoate

C12H13O6- — CID 2237504

IUPAC3-methoxy-4-[(2R)-1-methoxy-1-oxopropan-2-yl]oxybenzoate
SMILESCOC(=O)[C@@H](C)Oc1ccc(C(=O)[O-])cc1OC
InChIInChI=1S/C12H14O6/c1-7(12(15)17-3)18-9-5-4-8(11(13)14)6-10(9)16-2/h4-7H,1-3H3,(H,13,14)/p-1/t7-/m1/s1
InChIKeyTURHMOFYTWKKFO-SSDOTTSWSA-M
MW253.23 g/mol
LogP-0.00
Rot. Bonds5

About 3-methoxy-4-[(2R)-1-methoxy-1-oxopropan-2-yl]oxybenzoate

3-methoxy-4-[(2R)-1-methoxy-1-oxopropan-2-yl]oxybenzoate (PubChem CID 2237504) has the molecular formula C12H13O6- and a molecular weight of 253.23 g/mol. Its IUPAC name is 3-methoxy-4-[(2R)-1-methoxy-1-oxopropan-2-yl]oxybenzoate.

Molecular Properties

Compound Name3-methoxy-4-[(2R)-1-methoxy-1-oxopropan-2-yl]oxybenzoate
PubChem CID2237504
Molecular FormulaC12H13O6-
Molecular Weight253.23 g/mol
Exact Mass253.07
IUPAC Name3-methoxy-4-[(2R)-1-methoxy-1-oxopropan-2-yl]oxybenzoate
SMILESCOC(=O)[C@@H](C)Oc1ccc(C(=O)[O-])cc1OC
InChIInChI=1S/C12H14O6/c1-7(12(15)17-3)18-9-5-4-8(11(13)14)6-10(9)16-2/h4-7H,1-3H3,(H,13,14)/p-1/t7-/m1/s1
InChIKeyTURHMOFYTWKKFO-SSDOTTSWSA-M
XLogP-0.00
TPSA84.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-4-(1-methoxy-1-oxopropan-2-yl)oxybenzoic acid
CID 2981353
methyl 2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]propanoate
CID 63366880
methyl (2R)-2-(2-methoxy-4-nitrophenoxy)propanoate
CID 103337970
2-(4-carbamothioyl-2-methoxyphenoxy)propanoic acid
CID 55133621
2-(2-aminophenoxy)-1-(3,4-dimethoxyphenyl)propan-1-one
CID 46307410
methyl 3-methoxy-4-(1-nitroso-1-oxopropan-2-yl)oxybenzoate
CID 89049425
3-ethoxy-4-methoxybenzoate
CID 7020473
N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
3-fluoro-4-methoxybenzoate
CID 4251674
2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]propanoic acid
CID 55189911
methyl 4-[(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl]oxy-3-methoxybenzoate
CID 8729040
2-(4-amino-2-methoxyphenoxy)-N-carbamoylpropanamide
CID 55036205

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(2R)-1-methoxy-1-oxopropan-2-yl]oxybenzoate?
The IUPAC name of 3-methoxy-4-[(2R)-1-methoxy-1-oxopropan-2-yl]oxybenzoate (CID 2237504) is 3-methoxy-4-[(2R)-1-methoxy-1-oxopropan-2-yl]oxybenzoate.
What is the SMILES notation for 3-methoxy-4-[(2R)-1-methoxy-1-oxopropan-2-yl]oxybenzoate?
The canonical SMILES for 3-methoxy-4-[(2R)-1-methoxy-1-oxopropan-2-yl]oxybenzoate is COC(=O)[C@@H](C)Oc1ccc(C(=O)[O-])cc1OC.
What is the InChIKey of 3-methoxy-4-[(2R)-1-methoxy-1-oxopropan-2-yl]oxybenzoate?
The InChIKey is TURHMOFYTWKKFO-SSDOTTSWSA-M. The full InChI is InChI=1S/C12H14O6/c1-7(12(15)17-3)18-9-5-4-8(11(13)14)6-10(9)16-2/h4-7H,1-3H3,(H,13,14)/p-1/t7-/m1/s1.
What are the key properties of 3-methoxy-4-[(2R)-1-methoxy-1-oxopropan-2-yl]oxybenzoate?
3-methoxy-4-[(2R)-1-methoxy-1-oxopropan-2-yl]oxybenzoate has a molecular weight of 253.23 g/mol, XLogP of -0.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(2R)-1-methoxy-1-oxopropan-2-yl]oxybenzoate is sourced from PubChem (CID 2237504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).