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

C14H18O2 — CID 104769754

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one
SMILESCCCC(=O)CC1CCOc2ccccc21
InChIInChI=1S/C14H18O2/c1-2-5-12(15)10-11-8-9-16-14-7-4-3-6-13(11)14/h3-4,6-7,11H,2,5,8-10H2,1H3
InChIKeyUGZDNKFUAYKZAL-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.31
Rot. Bonds4

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

1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one (PubChem CID 104769754) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one
PubChem CID104769754
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one
SMILESCCCC(=O)CC1CCOc2ccccc21
InChIInChI=1S/C14H18O2/c1-2-5-12(15)10-11-8-9-16-14-7-4-3-6-13(11)14/h3-4,6-7,11H,2,5,8-10H2,1H3
InChIKeyUGZDNKFUAYKZAL-UHFFFAOYSA-N
XLogP3.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one
CID 104769879
1-(3,4-dihydro-2H-chromen-4-yl)nonan-2-one
CID 115798863
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
6-amino-1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one
CID 116571971
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
1-(3,4-dihydro-2H-chromen-4-yl)-3-hydroxyhexan-2-one
CID 103454025
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-phenoxypropan-2-one
CID 104769789
1-(3,4-dihydro-2H-chromen-4-yl)-3-piperidin-4-ylpropan-2-one
CID 116559906
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one (CID 104769754) is 1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one is CCCC(=O)CC1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one?
The InChIKey is UGZDNKFUAYKZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-2-5-12(15)10-11-8-9-16-14-7-4-3-6-13(11)14/h3-4,6-7,11H,2,5,8-10H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one?
1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one has a molecular weight of 218.30 g/mol, XLogP of 3.31, 4 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)pentan-2-one is sourced from PubChem (CID 104769754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).