3,4-dihydropyran-2-one;phenylmethoxymethylbenzene

C19H20O3 — CID 70150314

IUPAC3,4-dihydropyran-2-one;phenylmethoxymethylbenzene
SMILESO=C1CCC=CO1.c1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C14H14O.C5H6O2/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;6-5-3-1-2-4-7-5/h1-10H,11-12H2;2,4H,1,3H2
InChIKeyNFZVNVPDBSHIAT-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.24
Rot. Bonds4

About 3,4-dihydropyran-2-one;phenylmethoxymethylbenzene

3,4-dihydropyran-2-one;phenylmethoxymethylbenzene (PubChem CID 70150314) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3,4-dihydropyran-2-one;phenylmethoxymethylbenzene.

Molecular Properties

Compound Name3,4-dihydropyran-2-one;phenylmethoxymethylbenzene
PubChem CID70150314
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name3,4-dihydropyran-2-one;phenylmethoxymethylbenzene
SMILESO=C1CCC=CO1.c1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C14H14O.C5H6O2/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;6-5-3-1-2-4-7-5/h1-10H,11-12H2;2,4H,1,3H2
InChIKeyNFZVNVPDBSHIAT-UHFFFAOYSA-N
XLogP4.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 66734377
CID 66734377
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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydropyran-2-one;phenylmethoxymethylbenzene?
The IUPAC name of 3,4-dihydropyran-2-one;phenylmethoxymethylbenzene (CID 70150314) is 3,4-dihydropyran-2-one;phenylmethoxymethylbenzene.
What is the SMILES notation for 3,4-dihydropyran-2-one;phenylmethoxymethylbenzene?
The canonical SMILES for 3,4-dihydropyran-2-one;phenylmethoxymethylbenzene is O=C1CCC=CO1.c1ccc(COCc2ccccc2)cc1.
What is the InChIKey of 3,4-dihydropyran-2-one;phenylmethoxymethylbenzene?
The InChIKey is NFZVNVPDBSHIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O.C5H6O2/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;6-5-3-1-2-4-7-5/h1-10H,11-12H2;2,4H,1,3H2.
What are the key properties of 3,4-dihydropyran-2-one;phenylmethoxymethylbenzene?
3,4-dihydropyran-2-one;phenylmethoxymethylbenzene has a molecular weight of 296.37 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydropyran-2-one;phenylmethoxymethylbenzene is sourced from PubChem (CID 70150314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).