methyl 2-(3-hydroxy-5-oxo-4-phenyloxolan-2-yl)-2-phenylacetate

C19H18O5 — CID 86576531

IUPACmethyl 2-(3-hydroxy-5-oxo-4-phenyloxolan-2-yl)-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)C1OC(=O)C(c2ccccc2)C1O
InChIInChI=1S/C19H18O5/c1-23-18(21)15(13-10-6-3-7-11-13)17-16(20)14(19(22)24-17)12-8-4-2-5-9-12/h2-11,14-17,20H,1H3
InChIKeyRDGRMDYQKWTEDK-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.01
Rot. Bonds4

About methyl 2-(3-hydroxy-5-oxo-4-phenyloxolan-2-yl)-2-phenylacetate

methyl 2-(3-hydroxy-5-oxo-4-phenyloxolan-2-yl)-2-phenylacetate (PubChem CID 86576531) has the molecular formula C19H18O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is methyl 2-(3-hydroxy-5-oxo-4-phenyloxolan-2-yl)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(3-hydroxy-5-oxo-4-phenyloxolan-2-yl)-2-phenylacetate
PubChem CID86576531
Molecular FormulaC19H18O5
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Namemethyl 2-(3-hydroxy-5-oxo-4-phenyloxolan-2-yl)-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)C1OC(=O)C(c2ccccc2)C1O
InChIInChI=1S/C19H18O5/c1-23-18(21)15(13-10-6-3-7-11-13)17-16(20)14(19(22)24-17)12-8-4-2-5-9-12/h2-11,14-17,20H,1H3
InChIKeyRDGRMDYQKWTEDK-UHFFFAOYSA-N
XLogP2.01
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1,3-Dihydroxypropan-2-yl 2-(4-benzylphenyl)acetate
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CID 168299224
(3R,4aR,7aR)-3-[(E)-2,6-dimethyl-8-phenyl-oct-6-enyl]-7a-hydroxy-3,4a-dimethyl-4,7-dihydrofuro[3,2-c][1,2]dioxin-6-one
CID 6475981
3-hydroxy-5-phenylmethyl-(3S,5S)-tetrahydrofuran-2-one
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(3R,4R,5S)-3-benzyl-4-hydroxy-5-methyldihydrofuran-2(3H)-one
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CID 13175019
3-((4-Oxopentanoyl)oxy)-2-phenylpropanoic acid
CID 4625580
1,3-Dihydroxypropan-2-yl 6-(4-phenylphenyl)hexanoate
CID 56950596
(2R,3S,3aR,6aR)-3-hydroxy-2-[(S)-(2-methylphenyl)-phenylmethyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 72191681

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-hydroxy-5-oxo-4-phenyloxolan-2-yl)-2-phenylacetate?
The IUPAC name of methyl 2-(3-hydroxy-5-oxo-4-phenyloxolan-2-yl)-2-phenylacetate (CID 86576531) is methyl 2-(3-hydroxy-5-oxo-4-phenyloxolan-2-yl)-2-phenylacetate.
What is the SMILES notation for methyl 2-(3-hydroxy-5-oxo-4-phenyloxolan-2-yl)-2-phenylacetate?
The canonical SMILES for methyl 2-(3-hydroxy-5-oxo-4-phenyloxolan-2-yl)-2-phenylacetate is COC(=O)C(c1ccccc1)C1OC(=O)C(c2ccccc2)C1O.
What is the InChIKey of methyl 2-(3-hydroxy-5-oxo-4-phenyloxolan-2-yl)-2-phenylacetate?
The InChIKey is RDGRMDYQKWTEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O5/c1-23-18(21)15(13-10-6-3-7-11-13)17-16(20)14(19(22)24-17)12-8-4-2-5-9-12/h2-11,14-17,20H,1H3.
What are the key properties of methyl 2-(3-hydroxy-5-oxo-4-phenyloxolan-2-yl)-2-phenylacetate?
methyl 2-(3-hydroxy-5-oxo-4-phenyloxolan-2-yl)-2-phenylacetate has a molecular weight of 326.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-hydroxy-5-oxo-4-phenyloxolan-2-yl)-2-phenylacetate is sourced from PubChem (CID 86576531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).