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

C20H24O7 — CID 606999

IUPAC1-(2-hydroxy-4,6-dimethoxyphenyl)-2,2-dimethoxy-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CC(OC)(OC)C(=O)c2c(O)cc(OC)cc2OC)cc1
InChIInChI=1S/C20H24O7/c1-23-14-8-6-13(7-9-14)12-20(26-4,27-5)19(22)18-16(21)10-15(24-2)11-17(18)25-3/h6-11,21H,12H2,1-5H3
InChIKeyHRUYLQPPVRORTN-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.83
Rot. Bonds9

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

1-(2-hydroxy-4,6-dimethoxyphenyl)-2,2-dimethoxy-3-(4-methoxyphenyl)propan-1-one (PubChem CID 606999) has the molecular formula C20H24O7 and a molecular weight of 376.41 g/mol. Its IUPAC name is 1-(2-hydroxy-4,6-dimethoxyphenyl)-2,2-dimethoxy-3-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2-hydroxy-4,6-dimethoxyphenyl)-2,2-dimethoxy-3-(4-methoxyphenyl)propan-1-one
PubChem CID606999
Molecular FormulaC20H24O7
Molecular Weight376.41 g/mol
Exact Mass376.15
IUPAC Name1-(2-hydroxy-4,6-dimethoxyphenyl)-2,2-dimethoxy-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CC(OC)(OC)C(=O)c2c(O)cc(OC)cc2OC)cc1
InChIInChI=1S/C20H24O7/c1-23-14-8-6-13(7-9-14)12-20(26-4,27-5)19(22)18-16(21)10-15(24-2)11-17(18)25-3/h6-11,21H,12H2,1-5H3
InChIKeyHRUYLQPPVRORTN-UHFFFAOYSA-N
XLogP2.83
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.83
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

2-(4-bromophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone
CID 1268029
3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propane-1,2-dione
CID 606893
3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one
CID 10955251
1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)propane-1,3-dione
CID 90718650
1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylmethoxyethanone
CID 102233436
2-[(Z)-1-hydroxy-2-(4-methoxyphenyl)ethenyl]-3,5-dimethoxyphenol
CID 102473199
lithium (4-methoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18514847
2-(2,5-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
CID 71370456
[2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18515293
2,6-dihydroxy-4-[2-(4-methoxyphenoxy)ethoxy]benzoic acid;zinc
CID 67821709
(Z)-1-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)pent-1-en-3-one
CID 10857946
2-ethyl-2-[(4-methoxyphenyl)methyl]butanoic acid
CID 79015562

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4,6-dimethoxyphenyl)-2,2-dimethoxy-3-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(2-hydroxy-4,6-dimethoxyphenyl)-2,2-dimethoxy-3-(4-methoxyphenyl)propan-1-one (CID 606999) is 1-(2-hydroxy-4,6-dimethoxyphenyl)-2,2-dimethoxy-3-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(2-hydroxy-4,6-dimethoxyphenyl)-2,2-dimethoxy-3-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(2-hydroxy-4,6-dimethoxyphenyl)-2,2-dimethoxy-3-(4-methoxyphenyl)propan-1-one is COc1ccc(CC(OC)(OC)C(=O)c2c(O)cc(OC)cc2OC)cc1.
What is the InChIKey of 1-(2-hydroxy-4,6-dimethoxyphenyl)-2,2-dimethoxy-3-(4-methoxyphenyl)propan-1-one?
The InChIKey is HRUYLQPPVRORTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O7/c1-23-14-8-6-13(7-9-14)12-20(26-4,27-5)19(22)18-16(21)10-15(24-2)11-17(18)25-3/h6-11,21H,12H2,1-5H3.
What are the key properties of 1-(2-hydroxy-4,6-dimethoxyphenyl)-2,2-dimethoxy-3-(4-methoxyphenyl)propan-1-one?
1-(2-hydroxy-4,6-dimethoxyphenyl)-2,2-dimethoxy-3-(4-methoxyphenyl)propan-1-one has a molecular weight of 376.41 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4,6-dimethoxyphenyl)-2,2-dimethoxy-3-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 606999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).