methyl 2-hydroxy-2-[4-methoxy-3-(oxan-4-yloxy)phenyl]acetate

C15H20O6 — CID 117477504

IUPACmethyl 2-hydroxy-2-[4-methoxy-3-(oxan-4-yloxy)phenyl]acetate
SMILESCOC(=O)C(O)c1ccc(OC)c(OC2CCOCC2)c1
InChIInChI=1S/C15H20O6/c1-18-12-4-3-10(14(16)15(17)19-2)9-13(12)21-11-5-7-20-8-6-11/h3-4,9,11,14,16H,5-8H2,1-2H3
InChIKeyAQXVDNZNWZKHCS-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.46
Rot. Bonds5

About methyl 2-hydroxy-2-[4-methoxy-3-(oxan-4-yloxy)phenyl]acetate

methyl 2-hydroxy-2-[4-methoxy-3-(oxan-4-yloxy)phenyl]acetate (PubChem CID 117477504) has the molecular formula C15H20O6 and a molecular weight of 296.32 g/mol. Its IUPAC name is methyl 2-hydroxy-2-[4-methoxy-3-(oxan-4-yloxy)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-[4-methoxy-3-(oxan-4-yloxy)phenyl]acetate
PubChem CID117477504
Molecular FormulaC15H20O6
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Namemethyl 2-hydroxy-2-[4-methoxy-3-(oxan-4-yloxy)phenyl]acetate
SMILESCOC(=O)C(O)c1ccc(OC)c(OC2CCOCC2)c1
InChIInChI=1S/C15H20O6/c1-18-12-4-3-10(14(16)15(17)19-2)9-13(12)21-11-5-7-20-8-6-11/h3-4,9,11,14,16H,5-8H2,1-2H3
InChIKeyAQXVDNZNWZKHCS-UHFFFAOYSA-N
XLogP1.46
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-hydroxy-2-[4-methoxy-3-(oxan-4-yloxy)phenyl]acetate
CID 117495301
methyl 2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetate
CID 117494142
3-[4-methoxy-3-(oxan-4-yloxy)phenyl]butan-1-amine
CID 117448375
3-amino-3-[3-methoxy-4-(oxan-4-yloxy)phenyl]propanoic acid
CID 117476009
3-amino-2-[3-methoxy-4-(oxan-4-yloxy)phenyl]propanoic acid
CID 117475989
3-[4-methoxy-3-(oxan-4-yloxy)phenyl]-2-methylpropanoic acid
CID 117474871
methyl 2-hydroxy-2-[4-(oxan-4-yl)phenyl]acetate
CID 117378927
4-methoxy-3-[(3R)-oxolan-3-yl]oxybenzaldehyde
CID 54175149
2-(3-cyclobutyloxy-4-methoxyphenyl)propanoic acid
CID 117378818
3-methoxy-4-(oxan-4-yloxy)benzoic acid
CID 63935592
methyl 2-(3-bromo-4-methoxyphenyl)-2-hydroxyacetate
CID 62214467
bis[4-methoxy-3-(oxolan-3-yloxy)phenyl]methanone
CID 57156728

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-[4-methoxy-3-(oxan-4-yloxy)phenyl]acetate?
The IUPAC name of methyl 2-hydroxy-2-[4-methoxy-3-(oxan-4-yloxy)phenyl]acetate (CID 117477504) is methyl 2-hydroxy-2-[4-methoxy-3-(oxan-4-yloxy)phenyl]acetate.
What is the SMILES notation for methyl 2-hydroxy-2-[4-methoxy-3-(oxan-4-yloxy)phenyl]acetate?
The canonical SMILES for methyl 2-hydroxy-2-[4-methoxy-3-(oxan-4-yloxy)phenyl]acetate is COC(=O)C(O)c1ccc(OC)c(OC2CCOCC2)c1.
What is the InChIKey of methyl 2-hydroxy-2-[4-methoxy-3-(oxan-4-yloxy)phenyl]acetate?
The InChIKey is AQXVDNZNWZKHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O6/c1-18-12-4-3-10(14(16)15(17)19-2)9-13(12)21-11-5-7-20-8-6-11/h3-4,9,11,14,16H,5-8H2,1-2H3.
What are the key properties of methyl 2-hydroxy-2-[4-methoxy-3-(oxan-4-yloxy)phenyl]acetate?
methyl 2-hydroxy-2-[4-methoxy-3-(oxan-4-yloxy)phenyl]acetate has a molecular weight of 296.32 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-[4-methoxy-3-(oxan-4-yloxy)phenyl]acetate is sourced from PubChem (CID 117477504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).