2-[(3-hydroxyphenoxy)methyl]-5-phenylmethoxypyran-4-one

C19H16O5 — CID 88544637

IUPAC2-[(3-hydroxyphenoxy)methyl]-5-phenylmethoxypyran-4-one
SMILESO=c1cc(COc2cccc(O)c2)occ1OCc1ccccc1
InChIInChI=1S/C19H16O5/c20-15-7-4-8-16(9-15)22-12-17-10-18(21)19(13-23-17)24-11-14-5-2-1-3-6-14/h1-10,13,20H,11-12H2
InChIKeyWSLAGRQURCPRHG-UHFFFAOYSA-N
MW324.33 g/mol
LogP3.50
Rot. Bonds6

About 2-[(3-hydroxyphenoxy)methyl]-5-phenylmethoxypyran-4-one

2-[(3-hydroxyphenoxy)methyl]-5-phenylmethoxypyran-4-one (PubChem CID 88544637) has the molecular formula C19H16O5 and a molecular weight of 324.33 g/mol. Its IUPAC name is 2-[(3-hydroxyphenoxy)methyl]-5-phenylmethoxypyran-4-one.

Molecular Properties

Compound Name2-[(3-hydroxyphenoxy)methyl]-5-phenylmethoxypyran-4-one
PubChem CID88544637
Molecular FormulaC19H16O5
Molecular Weight324.33 g/mol
Exact Mass324.10
IUPAC Name2-[(3-hydroxyphenoxy)methyl]-5-phenylmethoxypyran-4-one
SMILESO=c1cc(COc2cccc(O)c2)occ1OCc1ccccc1
InChIInChI=1S/C19H16O5/c20-15-7-4-8-16(9-15)22-12-17-10-18(21)19(13-23-17)24-11-14-5-2-1-3-6-14/h1-10,13,20H,11-12H2
InChIKeyWSLAGRQURCPRHG-UHFFFAOYSA-N
XLogP3.50
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-oxo-5-phenylmethoxypyran-2-yl)methyl 2-(3-methoxyphenoxy)acetate
CID 84559736
2-(butoxymethyl)-5-phenylmethoxypyran-4-one
CID 10517453
(4-oxo-5-phenylmethoxypyran-2-yl)methyl 3-bromobenzoate
CID 84558880
(4-oxo-5-phenylmethoxypyran-2-yl)methyl 2-(2,6-dimethylphenoxy)acetate
CID 84559638
(4-oxo-5-phenylmethoxypyran-2-yl)methyl 3,4,5-trimethoxybenzoate
CID 84559516
(4-oxo-5-phenylmethoxypyran-2-yl)methyl 2-thiophen-2-ylacetate
CID 84558689
(4-oxo-5-phenylmethoxypyran-2-yl)methyl 4-chlorobenzenesulfonate
CID 84563806
2-(hepta-1,3,5-trien-3-yloxymethyl)-5-phenylmethoxypyran-4-one
CID 123388301
(4-oxo-5-phenylmethoxypyran-2-yl)methyl (E)-3-(4-methylphenyl)prop-2-enoate
CID 84558631
2-(hydroxymethyl)-5-(3-phenoxypropoxy)pyran-4-one
CID 79021112
2-(aminomethyl)-5-[(3-chlorophenyl)methoxy]pyran-4-one
CID 82064016
2-(hydroxymethyl)-5-[[3-(trifluoromethyl)phenyl]methoxy]pyran-4-one
CID 4586138

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxyphenoxy)methyl]-5-phenylmethoxypyran-4-one?
The IUPAC name of 2-[(3-hydroxyphenoxy)methyl]-5-phenylmethoxypyran-4-one (CID 88544637) is 2-[(3-hydroxyphenoxy)methyl]-5-phenylmethoxypyran-4-one.
What is the SMILES notation for 2-[(3-hydroxyphenoxy)methyl]-5-phenylmethoxypyran-4-one?
The canonical SMILES for 2-[(3-hydroxyphenoxy)methyl]-5-phenylmethoxypyran-4-one is O=c1cc(COc2cccc(O)c2)occ1OCc1ccccc1.
What is the InChIKey of 2-[(3-hydroxyphenoxy)methyl]-5-phenylmethoxypyran-4-one?
The InChIKey is WSLAGRQURCPRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O5/c20-15-7-4-8-16(9-15)22-12-17-10-18(21)19(13-23-17)24-11-14-5-2-1-3-6-14/h1-10,13,20H,11-12H2.
What are the key properties of 2-[(3-hydroxyphenoxy)methyl]-5-phenylmethoxypyran-4-one?
2-[(3-hydroxyphenoxy)methyl]-5-phenylmethoxypyran-4-one has a molecular weight of 324.33 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxyphenoxy)methyl]-5-phenylmethoxypyran-4-one is sourced from PubChem (CID 88544637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).