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

C15H20O2 — CID 104769879

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one
SMILESCCCCC(=O)CC1CCOc2ccccc21
InChIInChI=1S/C15H20O2/c1-2-3-6-13(16)11-12-9-10-17-15-8-5-4-7-14(12)15/h4-5,7-8,12H,2-3,6,9-11H2,1H3
InChIKeyIBNMUCLTDRQSBI-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.70
Rot. Bonds5

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

1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one (PubChem CID 104769879) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one
PubChem CID104769879
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one
SMILESCCCCC(=O)CC1CCOc2ccccc21
InChIInChI=1S/C15H20O2/c1-2-3-6-13(16)11-12-9-10-17-15-8-5-4-7-14(12)15/h4-5,7-8,12H,2-3,6,9-11H2,1H3
InChIKeyIBNMUCLTDRQSBI-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)nonan-2-one
CID 115798863
1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one
CID 104769754
6-amino-1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one
CID 116571971
1-(3,4-dihydro-2H-chromen-4-yl)heptan-4-one
CID 104771801
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)propan-2-one
CID 14203080
1-butan-2-ylsulfanyl-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 104769830
1-(3,4-dihydro-2H-chromen-4-yl)-3-hydroxyhexan-2-one
CID 103454025
N-(3,4-dihydro-2H-chromen-4-yl)-N-methylpentanamide
CID 110751142
1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-ol
CID 104769238
1-(3,4-dihydro-2H-chromen-4-yl)-3-phenoxypropan-2-one
CID 104769789

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one (CID 104769879) is 1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one is CCCCC(=O)CC1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one?
The InChIKey is IBNMUCLTDRQSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-2-3-6-13(16)11-12-9-10-17-15-8-5-4-7-14(12)15/h4-5,7-8,12H,2-3,6,9-11H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one?
1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one has a molecular weight of 232.32 g/mol, XLogP of 3.70, 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)hexan-2-one is sourced from PubChem (CID 104769879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).