3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one

C14H16O4 — CID 575067

IUPAC3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one
SMILESCOC1=CC(=O)OC(CCc2ccccc2)C1O
InChIInChI=1S/C14H16O4/c1-17-12-9-13(15)18-11(14(12)16)8-7-10-5-3-2-4-6-10/h2-6,9,11,14,16H,7-8H2,1H3
InChIKeyVJCNEDVMYQCMBK-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.44
Rot. Bonds4

About 3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one

3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one (PubChem CID 575067) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one
PubChem CID575067
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one
SMILESCOC1=CC(=O)OC(CCc2ccccc2)C1O
InChIInChI=1S/C14H16O4/c1-17-12-9-13(15)18-11(14(12)16)8-7-10-5-3-2-4-6-10/h2-6,9,11,14,16H,7-8H2,1H3
InChIKeyVJCNEDVMYQCMBK-UHFFFAOYSA-N
XLogP1.44
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Dihydrokavain
CID 10220256
Marindinin
CID 98356
Altholactone
CID 442513
Howiinol A
CID 6440329
Goniodiol
CID 180702
(+)-8-epi-Altholactone
CID 343590
(5Z)-5-[(2S,3R)-2,3-dihydroxy-3-phenylpropylidene]furan-2-one
CID 10998863
(5S,6S)-5,6-Dihydro-5-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]-2H-pyran-2-one
CID 23757115
Strictifolione
CID 637166
(2R)-2-[(1S,2R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one
CID 11356744
Goniobutenolide A
CID 11770317
Bitungolide E
CID 637464

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one?
The IUPAC name of 3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one (CID 575067) is 3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one.
What is the SMILES notation for 3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one?
The canonical SMILES for 3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one is COC1=CC(=O)OC(CCc2ccccc2)C1O.
What is the InChIKey of 3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one?
The InChIKey is VJCNEDVMYQCMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-17-12-9-13(15)18-11(14(12)16)8-7-10-5-3-2-4-6-10/h2-6,9,11,14,16H,7-8H2,1H3.
What are the key properties of 3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one?
3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one has a molecular weight of 248.28 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one is sourced from PubChem (CID 575067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).