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

C11H14O5 — CID 10955251

IUPAC3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one
SMILESCOc1cc(O)c(C(=O)CCO)c(OC)c1
InChIInChI=1S/C11H14O5/c1-15-7-5-9(14)11(8(13)3-4-12)10(6-7)16-2/h5-6,12,14H,3-4H2,1-2H3
InChIKeyJKLPUVIKMWEVBM-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.97
Rot. Bonds5

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

3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one (PubChem CID 10955251) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one
PubChem CID10955251
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one
SMILESCOc1cc(O)c(C(=O)CCO)c(OC)c1
InChIInChI=1S/C11H14O5/c1-15-7-5-9(14)11(8(13)3-4-12)10(6-7)16-2/h5-6,12,14H,3-4H2,1-2H3
InChIKeyJKLPUVIKMWEVBM-UHFFFAOYSA-N
XLogP0.97
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)propane-1,3-dione
CID 90718650
2-(4-bromophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone
CID 1268029
1-(2,6-dihydroxy-4-methoxyphenyl)pentan-1-one
CID 71367224
1-(2-bromo-4,6-dimethoxyphenyl)-3-chloropropan-1-one
CID 104645831
1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylmethoxyethanone
CID 102233436
1-(2,4,6-trimethoxyphenyl)dodecan-1-one
CID 11617254
methyl 5-oxo-5-(2,4,6-trimethoxyphenyl)pentanoate
CID 69082969
1-[6-hydroxy-3-[3-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]-5-methoxyphenoxy]-2,4-dimethoxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
CID 170221756
(Z)-1-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)pent-1-en-3-one
CID 10857946
3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylpropan-1-one
CID 13359570
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 70696711
4-(2-hydroxy-4,6-dimethoxyphenyl)-1-naphthalen-2-ylbutane-1,2,4-trione
CID 101020851

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one?
The IUPAC name of 3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one (CID 10955251) is 3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one.
What is the SMILES notation for 3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one?
The canonical SMILES for 3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one is COc1cc(O)c(C(=O)CCO)c(OC)c1.
What is the InChIKey of 3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one?
The InChIKey is JKLPUVIKMWEVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-15-7-5-9(14)11(8(13)3-4-12)10(6-7)16-2/h5-6,12,14H,3-4H2,1-2H3.
What are the key properties of 3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one?
3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one has a molecular weight of 226.23 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one is sourced from PubChem (CID 10955251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).