5-[6-hydroxy-2-methoxy-4-(methoxymethoxy)-3-methylphenyl]pentan-2-one

C15H22O5 — CID 175146584

IUPAC5-[6-hydroxy-2-methoxy-4-(methoxymethoxy)-3-methylphenyl]pentan-2-one
SMILESCOCOc1cc(O)c(CCCC(C)=O)c(OC)c1C
InChIInChI=1S/C15H22O5/c1-10(16)6-5-7-12-13(17)8-14(20-9-18-3)11(2)15(12)19-4/h8,17H,5-7,9H2,1-4H3
InChIKeyWXQXYOITUAUGAF-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.60
Rot. Bonds8

About 5-[6-hydroxy-2-methoxy-4-(methoxymethoxy)-3-methylphenyl]pentan-2-one

5-[6-hydroxy-2-methoxy-4-(methoxymethoxy)-3-methylphenyl]pentan-2-one (PubChem CID 175146584) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-[6-hydroxy-2-methoxy-4-(methoxymethoxy)-3-methylphenyl]pentan-2-one.

Molecular Properties

Compound Name5-[6-hydroxy-2-methoxy-4-(methoxymethoxy)-3-methylphenyl]pentan-2-one
PubChem CID175146584
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name5-[6-hydroxy-2-methoxy-4-(methoxymethoxy)-3-methylphenyl]pentan-2-one
SMILESCOCOc1cc(O)c(CCCC(C)=O)c(OC)c1C
InChIInChI=1S/C15H22O5/c1-10(16)6-5-7-12-13(17)8-14(20-9-18-3)11(2)15(12)19-4/h8,17H,5-7,9H2,1-4H3
InChIKeyWXQXYOITUAUGAF-UHFFFAOYSA-N
XLogP2.60
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-(4-ethoxy-2,3,6-trimethylphenyl)pentan-2-one
CID 83939411
5-(3,4,5-trimethoxyphenyl)pentan-2-one
CID 10610814
5-(2,4-dimethoxy-6-methylphenyl)pentan-2-one
CID 116927802
4-(3-hydroxy-4,5-dimethoxyphenyl)butan-2-one
CID 86067899
5-[(2,4-dimethoxy-3-methylphenyl)methylamino]pentan-2-one
CID 115236495
4-(2,3,4,5-tetramethoxy-6-methylphenyl)butan-2-one
CID 88733446
1-[3-hydroxy-4-(methoxymethoxy)phenyl]propan-2-one
CID 154190128
1-[5-bromo-2-hydroxy-4-(methoxymethoxy)phenyl]butane-1,3-dione
CID 154676913
1-[4-hydroxy-2,6-bis(methoxymethoxy)phenyl]ethanone
CID 156853152
6-(2-methoxy-4,5-dimethylphenyl)hexan-2-one
CID 98014751
4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)butan-2-one
CID 116927740
1-[2-methoxy-4,6-bis(methoxymethoxy)-3-(3-methylbut-2-enyl)phenyl]ethanone
CID 102394443

Frequently Asked Questions

What is the IUPAC name of 5-[6-hydroxy-2-methoxy-4-(methoxymethoxy)-3-methylphenyl]pentan-2-one?
The IUPAC name of 5-[6-hydroxy-2-methoxy-4-(methoxymethoxy)-3-methylphenyl]pentan-2-one (CID 175146584) is 5-[6-hydroxy-2-methoxy-4-(methoxymethoxy)-3-methylphenyl]pentan-2-one.
What is the SMILES notation for 5-[6-hydroxy-2-methoxy-4-(methoxymethoxy)-3-methylphenyl]pentan-2-one?
The canonical SMILES for 5-[6-hydroxy-2-methoxy-4-(methoxymethoxy)-3-methylphenyl]pentan-2-one is COCOc1cc(O)c(CCCC(C)=O)c(OC)c1C.
What is the InChIKey of 5-[6-hydroxy-2-methoxy-4-(methoxymethoxy)-3-methylphenyl]pentan-2-one?
The InChIKey is WXQXYOITUAUGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-10(16)6-5-7-12-13(17)8-14(20-9-18-3)11(2)15(12)19-4/h8,17H,5-7,9H2,1-4H3.
What are the key properties of 5-[6-hydroxy-2-methoxy-4-(methoxymethoxy)-3-methylphenyl]pentan-2-one?
5-[6-hydroxy-2-methoxy-4-(methoxymethoxy)-3-methylphenyl]pentan-2-one has a molecular weight of 282.34 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-hydroxy-2-methoxy-4-(methoxymethoxy)-3-methylphenyl]pentan-2-one is sourced from PubChem (CID 175146584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).