2-benzyl-2,3-dihydrochromen-4-one

C16H14O2 — CID 14773508

IUPAC2-benzyl-2,3-dihydrochromen-4-one
SMILESO=C1CC(Cc2ccccc2)Oc2ccccc21
InChIInChI=1S/C16H14O2/c17-15-11-13(10-12-6-2-1-3-7-12)18-16-9-5-4-8-14(15)16/h1-9,13H,10-11H2
InChIKeyGLWRRHMMTVHMCH-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.26
Rot. Bonds2

About 2-benzyl-2,3-dihydrochromen-4-one

2-benzyl-2,3-dihydrochromen-4-one (PubChem CID 14773508) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-benzyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-benzyl-2,3-dihydrochromen-4-one
PubChem CID14773508
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name2-benzyl-2,3-dihydrochromen-4-one
SMILESO=C1CC(Cc2ccccc2)Oc2ccccc21
InChIInChI=1S/C16H14O2/c17-15-11-13(10-12-6-2-1-3-7-12)18-16-9-5-4-8-14(15)16/h1-9,13H,10-11H2
InChIKeyGLWRRHMMTVHMCH-UHFFFAOYSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2,3-dihydrochromen-4-one?
The IUPAC name of 2-benzyl-2,3-dihydrochromen-4-one (CID 14773508) is 2-benzyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-benzyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-benzyl-2,3-dihydrochromen-4-one is O=C1CC(Cc2ccccc2)Oc2ccccc21.
What is the InChIKey of 2-benzyl-2,3-dihydrochromen-4-one?
The InChIKey is GLWRRHMMTVHMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c17-15-11-13(10-12-6-2-1-3-7-12)18-16-9-5-4-8-14(15)16/h1-9,13H,10-11H2.
What are the key properties of 2-benzyl-2,3-dihydrochromen-4-one?
2-benzyl-2,3-dihydrochromen-4-one has a molecular weight of 238.29 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 14773508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).