1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-2-methoxyethanone

C13H18O7 — CID 14189512

IUPAC1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-2-methoxyethanone
SMILESCOCC(=O)c1c(O)c(OC)c(OC)c(OC)c1OC
InChIInChI=1S/C13H18O7/c1-16-6-7(14)8-9(15)11(18-3)13(20-5)12(19-4)10(8)17-2/h15H,6H2,1-5H3
InChIKeyPXDRPDHWVFYGGD-UHFFFAOYSA-N
MW286.28 g/mol
LogP1.26
Rot. Bonds7

About 1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-2-methoxyethanone

1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-2-methoxyethanone (PubChem CID 14189512) has the molecular formula C13H18O7 and a molecular weight of 286.28 g/mol. Its IUPAC name is 1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-2-methoxyethanone
PubChem CID14189512
Molecular FormulaC13H18O7
Molecular Weight286.28 g/mol
Exact Mass286.11
IUPAC Name1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-2-methoxyethanone
SMILESCOCC(=O)c1c(O)c(OC)c(OC)c(OC)c1OC
InChIInChI=1S/C13H18O7/c1-16-6-7(14)8-9(15)11(18-3)13(20-5)12(19-4)10(8)17-2/h15H,6H2,1-5H3
InChIKeyPXDRPDHWVFYGGD-UHFFFAOYSA-N
XLogP1.26
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,5-dihydroxy-3,4,6-trimethoxyphenyl)propan-1-one
CID 14101406
1-(2,6-dihydroxy-3,4,5-trimethoxyphenyl)propan-1-one
CID 620679
1-[2-hydroxy-4,5,6-trimethoxy-3-(methoxymethoxy)phenyl]ethanone
CID 168863304
2,3,4,5,6-pentamethoxybenzoic acid
CID 623385
2-methoxy-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]ethanone
CID 86702215
2-methoxy-1-(2,4,6-trimethylphenyl)ethanone
CID 15502799
1-(4-ethyl-2-methylfuran-3-yl)-2-methoxyethanone
CID 82254109
2-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)ethanone
CID 82053775
methyl 3-chloro-2-hydroxy-4,5,6-trimethoxybenzoate
CID 10612541
2,4,6-trimethoxybenzene-1,3,5-triol
CID 102382483
2,3-dihydroxy-4,5-dimethoxy-6-methylbenzoic acid
CID 87859670
2-methoxy-1-(4-methoxy-2,3-dimethylphenyl)ethanone
CID 82053664

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-2-methoxyethanone?
The IUPAC name of 1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-2-methoxyethanone (CID 14189512) is 1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-2-methoxyethanone.
What is the SMILES notation for 1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-2-methoxyethanone?
The canonical SMILES for 1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-2-methoxyethanone is COCC(=O)c1c(O)c(OC)c(OC)c(OC)c1OC.
What is the InChIKey of 1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-2-methoxyethanone?
The InChIKey is PXDRPDHWVFYGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O7/c1-16-6-7(14)8-9(15)11(18-3)13(20-5)12(19-4)10(8)17-2/h15H,6H2,1-5H3.
What are the key properties of 1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-2-methoxyethanone?
1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-2-methoxyethanone has a molecular weight of 286.28 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-2-methoxyethanone is sourced from PubChem (CID 14189512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).