2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone

C17H16O2 — CID 104769745

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone
SMILESO=C(CC1CCOc2ccccc21)c1ccccc1
InChIInChI=1S/C17H16O2/c18-16(13-6-2-1-3-7-13)12-14-10-11-19-17-9-5-4-8-15(14)17/h1-9,14H,10-12H2
InChIKeyNSPGEDDIPPHFPS-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.83
Rot. Bonds3

About 2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone

2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone (PubChem CID 104769745) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone
PubChem CID104769745
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone
SMILESO=C(CC1CCOc2ccccc21)c1ccccc1
InChIInChI=1S/C17H16O2/c18-16(13-6-2-1-3-7-13)12-14-10-11-19-17-9-5-4-8-15(14)17/h1-9,14H,10-12H2
InChIKeyNSPGEDDIPPHFPS-UHFFFAOYSA-N
XLogP3.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
1-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 115798791
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 104769760
1-(3-bromo-4-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 115798807
1-(4-bromo-3-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 115798746
1-(3,4-dihydro-2H-chromen-4-yl)-4-phenylbutan-2-one
CID 104769764
1-(3,4-dihydro-2H-chromen-4-yl)-3-phenoxypropan-2-one
CID 104769789
1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one
CID 104769754
1-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)propan-2-one
CID 104769876
2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,4-dimethylphenyl)ethanone
CID 115798919
2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylfuran-2-yl)ethanone
CID 115798762
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylbutanoic acid
CID 113451184

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone (CID 104769745) is 2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone is O=C(CC1CCOc2ccccc21)c1ccccc1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone?
The InChIKey is NSPGEDDIPPHFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c18-16(13-6-2-1-3-7-13)12-14-10-11-19-17-9-5-4-8-15(14)17/h1-9,14H,10-12H2.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone?
2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone has a molecular weight of 252.31 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone is sourced from PubChem (CID 104769745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).