1-(2,4-dihydroxy-5-methoxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)ethanone

C16H16O6 — CID 42605359

IUPAC1-(2,4-dihydroxy-5-methoxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)ethanone
SMILESCOc1cc(CC(=O)c2cc(OC)c(O)cc2O)ccc1O
InChIInChI=1S/C16H16O6/c1-21-15-6-9(3-4-11(15)17)5-12(18)10-7-16(22-2)14(20)8-13(10)19/h3-4,6-8,17,19-20H,5H2,1-2H3
InChIKeyZSQMKVCLOKVAOM-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.25
Rot. Bonds5

About 1-(2,4-dihydroxy-5-methoxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)ethanone

1-(2,4-dihydroxy-5-methoxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)ethanone (PubChem CID 42605359) has the molecular formula C16H16O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is 1-(2,4-dihydroxy-5-methoxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2,4-dihydroxy-5-methoxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)ethanone
PubChem CID42605359
Molecular FormulaC16H16O6
Molecular Weight304.30 g/mol
Exact Mass304.09
IUPAC Name1-(2,4-dihydroxy-5-methoxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)ethanone
SMILESCOc1cc(CC(=O)c2cc(OC)c(O)cc2O)ccc1O
InChIInChI=1S/C16H16O6/c1-21-15-6-9(3-4-11(15)17)5-12(18)10-7-16(22-2)14(20)8-13(10)19/h3-4,6-8,17,19-20H,5H2,1-2H3
InChIKeyZSQMKVCLOKVAOM-UHFFFAOYSA-N
XLogP2.25
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-hydroxy-3-methoxyphenyl)acetic acid;hydrate
CID 141474134
methoxymethyl 2-(4-hydroxy-3-methoxyphenyl)acetate
CID 121224875
1-(5-bromo-2-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)ethanone
CID 58913124
3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]propyl-[4-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]propylazaniumyl]butyl]azanium
CID 71597495
(4-hydroxy-3-methoxyphenyl)methyl 2-aminoacetate
CID 175589732
N-[(3,4-dihydroxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 10063540
1-(4-hydroxy-3-methoxyphenyl)butane-2,3-diol
CID 71398900
4-[(2E)-2-hydroxyiminopropyl]-2-methoxyphenol
CID 11321502
3-(4-hydroxy-3-methoxyphenyl)-2-methoxypropanoic acid
CID 18443662
1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpentan-3-one
CID 71334151
4-(fluoromethyl)-2-methoxyphenol
CID 84650348
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol
CID 22599015

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxy-5-methoxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)ethanone?
The IUPAC name of 1-(2,4-dihydroxy-5-methoxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)ethanone (CID 42605359) is 1-(2,4-dihydroxy-5-methoxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(2,4-dihydroxy-5-methoxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)ethanone?
The canonical SMILES for 1-(2,4-dihydroxy-5-methoxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)ethanone is COc1cc(CC(=O)c2cc(OC)c(O)cc2O)ccc1O.
What is the InChIKey of 1-(2,4-dihydroxy-5-methoxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)ethanone?
The InChIKey is ZSQMKVCLOKVAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O6/c1-21-15-6-9(3-4-11(15)17)5-12(18)10-7-16(22-2)14(20)8-13(10)19/h3-4,6-8,17,19-20H,5H2,1-2H3.
What are the key properties of 1-(2,4-dihydroxy-5-methoxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)ethanone?
1-(2,4-dihydroxy-5-methoxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)ethanone has a molecular weight of 304.30 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxy-5-methoxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)ethanone is sourced from PubChem (CID 42605359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).