1-(3,5-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propan-1-one

C18H20O6 — CID 102579597

IUPAC1-(3,5-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propan-1-one
SMILESCOc1cc(OC)cc(C(=O)C(CO)Oc2ccccc2OC)c1
InChIInChI=1S/C18H20O6/c1-21-13-8-12(9-14(10-13)22-2)18(20)17(11-19)24-16-7-5-4-6-15(16)23-3/h4-10,17,19H,11H2,1-3H3
InChIKeyPDSBBAGMJIJFRJ-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.34
Rot. Bonds8

About 1-(3,5-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propan-1-one

1-(3,5-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propan-1-one (PubChem CID 102579597) has the molecular formula C18H20O6 and a molecular weight of 332.35 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propan-1-one.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propan-1-one
PubChem CID102579597
Molecular FormulaC18H20O6
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name1-(3,5-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propan-1-one
SMILESCOc1cc(OC)cc(C(=O)C(CO)Oc2ccccc2OC)c1
InChIInChI=1S/C18H20O6/c1-21-13-8-12(9-14(10-13)22-2)18(20)17(11-19)24-16-7-5-4-6-15(16)23-3/h4-10,17,19H,11H2,1-3H3
InChIKeyPDSBBAGMJIJFRJ-UHFFFAOYSA-N
XLogP2.34
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-hydroxy-1-(3-methoxy-4-methylphenyl)-2-(2-methoxyphenoxy)propan-1-one
CID 130466516
[4-[2-(2,6-dimethoxyphenoxy)-3-hydroxypropanoyl]-2,6-dimethoxyphenyl] benzoate
CID 100998359
3-methoxy-2-(2-methoxyphenoxy)propanoic acid
CID 103223945
1-(3,5-dimethoxyphenyl)-2-ethoxybutan-1-one
CID 116707577
ethane;2-(2-methoxyphenoxy)-3-methylbutan-1-ol
CID 142544309
2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid
CID 133240977
2,9-bis(2-methoxyphenoxy)decanedioyl dichloride
CID 102377700
1-(3,5-dimethoxyphenyl)-3-phenylpropane-1,3-dione
CID 91159329
2-(2-aminophenoxy)-1-(3,4-dimethoxyphenyl)butan-1-one
CID 46307411
1,3-dimethoxy-5-(2-methoxyphenoxy)benzene
CID 14020528
(2R)-2-(2-methoxyphenoxy)-3-(2-phenoxyphenyl)propanoic acid
CID 100551442
bis[2-(3,5-dimethoxyphenyl)-2-oxo-1-phenylethyl] carbonate
CID 66645438

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propan-1-one?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propan-1-one (CID 102579597) is 1-(3,5-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propan-1-one.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propan-1-one?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propan-1-one is COc1cc(OC)cc(C(=O)C(CO)Oc2ccccc2OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propan-1-one?
The InChIKey is PDSBBAGMJIJFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O6/c1-21-13-8-12(9-14(10-13)22-2)18(20)17(11-19)24-16-7-5-4-6-15(16)23-3/h4-10,17,19H,11H2,1-3H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propan-1-one?
1-(3,5-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propan-1-one has a molecular weight of 332.35 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propan-1-one is sourced from PubChem (CID 102579597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).