2-(phenoxymethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one

C15H16O3 — CID 102486276

IUPAC2-(phenoxymethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
SMILESO=C1CCCC2=C1CC(COc1ccccc1)O2
InChIInChI=1S/C15H16O3/c16-14-7-4-8-15-13(14)9-12(18-15)10-17-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2
InChIKeyHVBWDDWIPVVCEB-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.86
Rot. Bonds3

About 2-(phenoxymethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one

2-(phenoxymethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one (PubChem CID 102486276) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(phenoxymethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one.

Molecular Properties

Compound Name2-(phenoxymethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
PubChem CID102486276
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name2-(phenoxymethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
SMILESO=C1CCCC2=C1CC(COc1ccccc1)O2
InChIInChI=1S/C15H16O3/c16-14-7-4-8-15-13(14)9-12(18-15)10-17-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2
InChIKeyHVBWDDWIPVVCEB-UHFFFAOYSA-N
XLogP2.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(bromomethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
CID 11413589
(5S)-5-(phenoxymethyl)oxolan-2-one
CID 101167368
2-(2-oxopropyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
CID 11458221
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
ethene;2-(phenoxymethyl)oxirane
CID 135283522
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694
4-(phenoxymethyl)-2-phenylcyclopent-2-en-1-one
CID 11021760
1,1'-biphenyl;2-(phenoxymethyl)oxirane;propane
CID 90797707
2-(phenoxymethyl)-3,4-dihydro-2H-pyran
CID 118861719
(2S)-2-(hydroxymethyl)-2,3,4,6,7,8-hexahydrochromen-5-one
CID 11458059
5-(phenoxymethyl)oxolane-3-thiol
CID 18924021
[5-(phenoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-phenylmethanone
CID 15445658

Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one?
The IUPAC name of 2-(phenoxymethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one (CID 102486276) is 2-(phenoxymethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one.
What is the SMILES notation for 2-(phenoxymethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one?
The canonical SMILES for 2-(phenoxymethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one is O=C1CCCC2=C1CC(COc1ccccc1)O2.
What is the InChIKey of 2-(phenoxymethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one?
The InChIKey is HVBWDDWIPVVCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c16-14-7-4-8-15-13(14)9-12(18-15)10-17-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2.
What are the key properties of 2-(phenoxymethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one?
2-(phenoxymethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one has a molecular weight of 244.29 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one is sourced from PubChem (CID 102486276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).