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

C19H20O2 — CID 104769764

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-4-phenylbutan-2-one
SMILESO=C(CCc1ccccc1)CC1CCOc2ccccc21
InChIInChI=1S/C19H20O2/c20-17(11-10-15-6-2-1-3-7-15)14-16-12-13-21-19-9-5-4-8-18(16)19/h1-9,16H,10-14H2
InChIKeyUBTZLZJSMUWCGJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.14
Rot. Bonds5

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

1-(3,4-dihydro-2H-chromen-4-yl)-4-phenylbutan-2-one (PubChem CID 104769764) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-4-phenylbutan-2-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-4-phenylbutan-2-one
PubChem CID104769764
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-4-phenylbutan-2-one
SMILESO=C(CCc1ccccc1)CC1CCOc2ccccc21
InChIInChI=1S/C19H20O2/c20-17(11-10-15-6-2-1-3-7-15)14-16-12-13-21-19-9-5-4-8-18(16)19/h1-9,16H,10-14H2
InChIKeyUBTZLZJSMUWCGJ-UHFFFAOYSA-N
XLogP4.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one
CID 104769754
1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one
CID 104769879
6-amino-1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one
CID 116571971
1-(3,4-dihydro-2H-chromen-4-yl)nonan-2-one
CID 115798863
1-(3,4-dihydro-2H-chromen-4-yl)-3-phenoxypropan-2-one
CID 104769789
1-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)propan-2-one
CID 104769876
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
1-(4-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 104769739
1-(3,4-dihydro-2H-chromen-4-yl)-3-piperidin-4-ylpropan-2-one
CID 116559906
1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-2-one
CID 105127699
4-(3,4-dihydro-2H-chromen-4-yl)butanoic acid
CID 104772494

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-4-phenylbutan-2-one?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-4-phenylbutan-2-one (CID 104769764) is 1-(3,4-dihydro-2H-chromen-4-yl)-4-phenylbutan-2-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-4-phenylbutan-2-one?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-4-phenylbutan-2-one is O=C(CCc1ccccc1)CC1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-4-phenylbutan-2-one?
The InChIKey is UBTZLZJSMUWCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c20-17(11-10-15-6-2-1-3-7-15)14-16-12-13-21-19-9-5-4-8-18(16)19/h1-9,16H,10-14H2.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-4-phenylbutan-2-one?
1-(3,4-dihydro-2H-chromen-4-yl)-4-phenylbutan-2-one has a molecular weight of 280.37 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-4-phenylbutan-2-one is sourced from PubChem (CID 104769764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).