1-[2-hydroxy-4,5,6-trimethoxy-3-(methoxymethoxy)phenyl]ethanone

C13H18O7 — CID 168863304

IUPAC1-[2-hydroxy-4,5,6-trimethoxy-3-(methoxymethoxy)phenyl]ethanone
SMILESCOCOc1c(O)c(C(C)=O)c(OC)c(OC)c1OC
InChIInChI=1S/C13H18O7/c1-7(14)8-9(15)11(20-6-16-2)13(19-5)12(18-4)10(8)17-3/h15H,6H2,1-5H3
InChIKeyOACCAPGPBXWIFD-UHFFFAOYSA-N
MW286.28 g/mol
LogP1.60
Rot. Bonds7

About 1-[2-hydroxy-4,5,6-trimethoxy-3-(methoxymethoxy)phenyl]ethanone

1-[2-hydroxy-4,5,6-trimethoxy-3-(methoxymethoxy)phenyl]ethanone (PubChem CID 168863304) has the molecular formula C13H18O7 and a molecular weight of 286.28 g/mol. Its IUPAC name is 1-[2-hydroxy-4,5,6-trimethoxy-3-(methoxymethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-hydroxy-4,5,6-trimethoxy-3-(methoxymethoxy)phenyl]ethanone
PubChem CID168863304
Molecular FormulaC13H18O7
Molecular Weight286.28 g/mol
Exact Mass286.11
IUPAC Name1-[2-hydroxy-4,5,6-trimethoxy-3-(methoxymethoxy)phenyl]ethanone
SMILESCOCOc1c(O)c(C(C)=O)c(OC)c(OC)c1OC
InChIInChI=1S/C13H18O7/c1-7(14)8-9(15)11(20-6-16-2)13(19-5)12(18-4)10(8)17-3/h15H,6H2,1-5H3
InChIKeyOACCAPGPBXWIFD-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-2-methoxyethanone
CID 14189512
[2-acetyl-3,5,6-trimethoxy-4-(methoxymethoxy)phenyl] 4-methoxybenzoate
CID 10526141
1-[4-hydroxy-2,6-bis(methoxymethoxy)phenyl]ethanone
CID 156853152
1-[2-hydroxy-6-methoxy-4-(methoxymethoxy)phenyl]ethanone
CID 11195478
1-(2,6-dihydroxy-3,4,5-trimethoxyphenyl)propan-1-one
CID 620679
1-[2-methoxy-4,6-bis(methoxymethoxy)-3-(3-methylbut-2-enyl)phenyl]ethanone
CID 102394443
1-[2,4,6-tris(methoxymethoxy)phenyl]ethanone
CID 10935461
1-(2,5-dihydroxy-3,4,6-trimethoxyphenyl)propan-1-one
CID 14101406
1-[4-(2-ethoxyethoxy)-6-hydroxy-7-methoxy-1-benzofuran-5-yl]ethanone
CID 154183817
1-[7-[(4-bromophenyl)methoxy]-6-hydroxy-4-methoxy-1-benzofuran-5-yl]ethanone
CID 11618060
(2-acetyl-5-acetyloxy-3,4,6-trimethoxyphenyl) acetate
CID 11759186
1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)ethanone
CID 84668084

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-4,5,6-trimethoxy-3-(methoxymethoxy)phenyl]ethanone?
The IUPAC name of 1-[2-hydroxy-4,5,6-trimethoxy-3-(methoxymethoxy)phenyl]ethanone (CID 168863304) is 1-[2-hydroxy-4,5,6-trimethoxy-3-(methoxymethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-hydroxy-4,5,6-trimethoxy-3-(methoxymethoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-hydroxy-4,5,6-trimethoxy-3-(methoxymethoxy)phenyl]ethanone is COCOc1c(O)c(C(C)=O)c(OC)c(OC)c1OC.
What is the InChIKey of 1-[2-hydroxy-4,5,6-trimethoxy-3-(methoxymethoxy)phenyl]ethanone?
The InChIKey is OACCAPGPBXWIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O7/c1-7(14)8-9(15)11(20-6-16-2)13(19-5)12(18-4)10(8)17-3/h15H,6H2,1-5H3.
What are the key properties of 1-[2-hydroxy-4,5,6-trimethoxy-3-(methoxymethoxy)phenyl]ethanone?
1-[2-hydroxy-4,5,6-trimethoxy-3-(methoxymethoxy)phenyl]ethanone has a molecular weight of 286.28 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-4,5,6-trimethoxy-3-(methoxymethoxy)phenyl]ethanone is sourced from PubChem (CID 168863304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).