3-hydroxy-1-(3-methoxy-4-methylphenyl)-2-(2-methoxyphenoxy)propan-1-one

C18H20O5 — CID 130466516

IUPAC3-hydroxy-1-(3-methoxy-4-methylphenyl)-2-(2-methoxyphenoxy)propan-1-one
SMILESCOc1cc(C(=O)C(CO)Oc2ccccc2OC)ccc1C
InChIInChI=1S/C18H20O5/c1-12-8-9-13(10-16(12)22-3)18(20)17(11-19)23-15-7-5-4-6-14(15)21-2/h4-10,17,19H,11H2,1-3H3
InChIKeyOTNGIFSHTVBFOM-UHFFFAOYSA-N
MW316.35 g/mol
LogP2.63
Rot. Bonds7

About 3-hydroxy-1-(3-methoxy-4-methylphenyl)-2-(2-methoxyphenoxy)propan-1-one

3-hydroxy-1-(3-methoxy-4-methylphenyl)-2-(2-methoxyphenoxy)propan-1-one (PubChem CID 130466516) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is 3-hydroxy-1-(3-methoxy-4-methylphenyl)-2-(2-methoxyphenoxy)propan-1-one.

Molecular Properties

Compound Name3-hydroxy-1-(3-methoxy-4-methylphenyl)-2-(2-methoxyphenoxy)propan-1-one
PubChem CID130466516
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name3-hydroxy-1-(3-methoxy-4-methylphenyl)-2-(2-methoxyphenoxy)propan-1-one
SMILESCOc1cc(C(=O)C(CO)Oc2ccccc2OC)ccc1C
InChIInChI=1S/C18H20O5/c1-12-8-9-13(10-16(12)22-3)18(20)17(11-19)23-15-7-5-4-6-14(15)21-2/h4-10,17,19H,11H2,1-3H3
InChIKeyOTNGIFSHTVBFOM-UHFFFAOYSA-N
XLogP2.63
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propan-1-one
CID 102579597
1-(3-methoxy-4-methylphenyl)propan-1-one
CID 71349712
2-(2-aminophenoxy)-1-(3,4-dimethoxyphenyl)butan-1-one
CID 46307411
3,4-dimethoxy-N'-[2-(2-methylphenoxy)butanoyl]benzohydrazide
CID 4932168
[4-[2-(2,6-dimethoxyphenoxy)-3-hydroxypropanoyl]-2,6-dimethoxyphenyl] benzoate
CID 100998359
2-(2-methoxyphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid
CID 133241387
(3-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800817
3-methoxy-2-(2-methoxyphenoxy)propanoic acid
CID 103223945
2-(2-methoxyphenoxy)propanediamide
CID 141374982
3-(2-methoxyphenoxy)pentane-2,4-dione
CID 90444810
amino 3-methoxy-4-methylbenzoate
CID 175307316
ethane;2-(2-methoxyphenoxy)-3-methylbutan-1-ol
CID 142544309

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(3-methoxy-4-methylphenyl)-2-(2-methoxyphenoxy)propan-1-one?
The IUPAC name of 3-hydroxy-1-(3-methoxy-4-methylphenyl)-2-(2-methoxyphenoxy)propan-1-one (CID 130466516) is 3-hydroxy-1-(3-methoxy-4-methylphenyl)-2-(2-methoxyphenoxy)propan-1-one.
What is the SMILES notation for 3-hydroxy-1-(3-methoxy-4-methylphenyl)-2-(2-methoxyphenoxy)propan-1-one?
The canonical SMILES for 3-hydroxy-1-(3-methoxy-4-methylphenyl)-2-(2-methoxyphenoxy)propan-1-one is COc1cc(C(=O)C(CO)Oc2ccccc2OC)ccc1C.
What is the InChIKey of 3-hydroxy-1-(3-methoxy-4-methylphenyl)-2-(2-methoxyphenoxy)propan-1-one?
The InChIKey is OTNGIFSHTVBFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5/c1-12-8-9-13(10-16(12)22-3)18(20)17(11-19)23-15-7-5-4-6-14(15)21-2/h4-10,17,19H,11H2,1-3H3.
What are the key properties of 3-hydroxy-1-(3-methoxy-4-methylphenyl)-2-(2-methoxyphenoxy)propan-1-one?
3-hydroxy-1-(3-methoxy-4-methylphenyl)-2-(2-methoxyphenoxy)propan-1-one has a molecular weight of 316.35 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(3-methoxy-4-methylphenyl)-2-(2-methoxyphenoxy)propan-1-one is sourced from PubChem (CID 130466516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).