1-(4,6-dihydroxy-2,3-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one

C18H20O7 — CID 118898649

IUPAC1-(4,6-dihydroxy-2,3-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2c(O)cc(O)c(OC)c2OC)cc1O
InChIInChI=1S/C18H20O7/c1-23-15-7-5-10(8-12(15)20)4-6-11(19)16-13(21)9-14(22)17(24-2)18(16)25-3/h5,7-9,20-22H,4,6H2,1-3H3
InChIKeyYNCXRLZOZVUMIX-UHFFFAOYSA-N
MW348.35 g/mol
LogP2.64
Rot. Bonds7

About 1-(4,6-dihydroxy-2,3-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one

1-(4,6-dihydroxy-2,3-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one (PubChem CID 118898649) has the molecular formula C18H20O7 and a molecular weight of 348.35 g/mol. Its IUPAC name is 1-(4,6-dihydroxy-2,3-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(4,6-dihydroxy-2,3-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one
PubChem CID118898649
Molecular FormulaC18H20O7
Molecular Weight348.35 g/mol
Exact Mass348.12
IUPAC Name1-(4,6-dihydroxy-2,3-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2c(O)cc(O)c(OC)c2OC)cc1O
InChIInChI=1S/C18H20O7/c1-23-15-7-5-10(8-12(15)20)4-6-11(19)16-13(21)9-14(22)17(24-2)18(16)25-3/h5,7-9,20-22H,4,6H2,1-3H3
InChIKeyYNCXRLZOZVUMIX-UHFFFAOYSA-N
XLogP2.64
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(2-aminoethoxy)-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one
CID 12649334
1,7-bis(3-hydroxy-4-methoxyphenyl)heptane-3,5-dione
CID 22501459
1-(2,6-dihydroxy-4-methoxyphenyl)-3-(3-hydroxy-4-propoxyphenyl)propan-1-one
CID 161090757
1-[6-hydroxy-3-[3-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]-5-methoxyphenoxy]-2,4-dimethoxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
CID 170221756
CID 158607345
CID 158607345
ethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate
CID 10867928
5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187
3-(3-hydroxy-4-methoxyphenyl)propanoic acid;2-hydroxy-2-methylpropanoic acid
CID 160639510
1-[2,6-dihydroxy-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one
CID 68519297
2-(3-hydroxy-4-methoxyphenyl)ethylcarbamic acid
CID 174214574
3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4,5-dimethylphenyl)propan-1-one
CID 45278530
5-(2-aminoethyl)-2-methoxyphenol chloride
CID 53313231

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dihydroxy-2,3-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(4,6-dihydroxy-2,3-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one (CID 118898649) is 1-(4,6-dihydroxy-2,3-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(4,6-dihydroxy-2,3-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(4,6-dihydroxy-2,3-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one is COc1ccc(CCC(=O)c2c(O)cc(O)c(OC)c2OC)cc1O.
What is the InChIKey of 1-(4,6-dihydroxy-2,3-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one?
The InChIKey is YNCXRLZOZVUMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O7/c1-23-15-7-5-10(8-12(15)20)4-6-11(19)16-13(21)9-14(22)17(24-2)18(16)25-3/h5,7-9,20-22H,4,6H2,1-3H3.
What are the key properties of 1-(4,6-dihydroxy-2,3-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one?
1-(4,6-dihydroxy-2,3-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one has a molecular weight of 348.35 g/mol, XLogP of 2.64, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dihydroxy-2,3-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 118898649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).