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

C18H18O3 — CID 104769789

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-3-phenoxypropan-2-one
SMILESO=C(COc1ccccc1)CC1CCOc2ccccc21
InChIInChI=1S/C18H18O3/c19-15(13-21-16-6-2-1-3-7-16)12-14-10-11-20-18-9-5-4-8-17(14)18/h1-9,14H,10-13H2
InChIKeyTVSYWHRDXZFVAV-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.59
Rot. Bonds5

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

1-(3,4-dihydro-2H-chromen-4-yl)-3-phenoxypropan-2-one (PubChem CID 104769789) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-3-phenoxypropan-2-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-3-phenoxypropan-2-one
PubChem CID104769789
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-3-phenoxypropan-2-one
SMILESO=C(COc1ccccc1)CC1CCOc2ccccc21
InChIInChI=1S/C18H18O3/c19-15(13-21-16-6-2-1-3-7-16)12-14-10-11-20-18-9-5-4-8-17(14)18/h1-9,14H,10-13H2
InChIKeyTVSYWHRDXZFVAV-UHFFFAOYSA-N
XLogP3.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-4-phenylbutan-2-one
CID 104769764
1-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)propan-2-one
CID 104769876
1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one
CID 104769754
2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone
CID 104769745
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
4-(3,4-dihydro-2H-chromen-4-ylmethoxy)benzoic acid
CID 104768077
1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one
CID 104769879
1-(3,4-dihydro-2H-chromen-4-yl)-3-piperidin-4-ylpropan-2-one
CID 116559906
6-amino-1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one
CID 116571971
N-(3,4-dihydro-2H-chromen-4-yl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 47008000
1-(4-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 104769739
1-(3,4-dihydro-2H-chromen-4-yl)nonan-2-one
CID 115798863

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-phenoxypropan-2-one?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-phenoxypropan-2-one (CID 104769789) is 1-(3,4-dihydro-2H-chromen-4-yl)-3-phenoxypropan-2-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-3-phenoxypropan-2-one?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-3-phenoxypropan-2-one is O=C(COc1ccccc1)CC1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-3-phenoxypropan-2-one?
The InChIKey is TVSYWHRDXZFVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c19-15(13-21-16-6-2-1-3-7-16)12-14-10-11-20-18-9-5-4-8-17(14)18/h1-9,14H,10-13H2.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-3-phenoxypropan-2-one?
1-(3,4-dihydro-2H-chromen-4-yl)-3-phenoxypropan-2-one has a molecular weight of 282.34 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-3-phenoxypropan-2-one is sourced from PubChem (CID 104769789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).