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

C15H20O3 — CID 103454025

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-3-hydroxyhexan-2-one
SMILESCCCC(O)C(=O)CC1CCOc2ccccc21
InChIInChI=1S/C15H20O3/c1-2-5-13(16)14(17)10-11-8-9-18-15-7-4-3-6-12(11)15/h3-4,6-7,11,13,16H,2,5,8-10H2,1H3
InChIKeyVBTQFAMGTQINLG-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.67
Rot. Bonds5

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

1-(3,4-dihydro-2H-chromen-4-yl)-3-hydroxyhexan-2-one (PubChem CID 103454025) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-3-hydroxyhexan-2-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-3-hydroxyhexan-2-one
PubChem CID103454025
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-3-hydroxyhexan-2-one
SMILESCCCC(O)C(=O)CC1CCOc2ccccc21
InChIInChI=1S/C15H20O3/c1-2-5-13(16)14(17)10-11-8-9-18-15-7-4-3-6-12(11)15/h3-4,6-7,11,13,16H,2,5,8-10H2,1H3
InChIKeyVBTQFAMGTQINLG-UHFFFAOYSA-N
XLogP2.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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)-3-methoxypentan-2-one
CID 116707180
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one
CID 104769879
1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-ol
CID 104769238
1-(3,4-dihydro-2H-chromen-4-yl)nonan-2-one
CID 115798863
1-(3,4-dihydro-2H-chromen-4-yl)butan-1-ol
CID 65411536
N-butan-2-yl-2-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 110680418
1-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)propan-2-one
CID 104769876
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethylpentan-2-amine
CID 104770187
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-one
CID 55227243
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)-3-hydroxyhexan-2-one?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-hydroxyhexan-2-one (CID 103454025) is 1-(3,4-dihydro-2H-chromen-4-yl)-3-hydroxyhexan-2-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-3-hydroxyhexan-2-one?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-3-hydroxyhexan-2-one is CCCC(O)C(=O)CC1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-3-hydroxyhexan-2-one?
The InChIKey is VBTQFAMGTQINLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-2-5-13(16)14(17)10-11-8-9-18-15-7-4-3-6-12(11)15/h3-4,6-7,11,13,16H,2,5,8-10H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-3-hydroxyhexan-2-one?
1-(3,4-dihydro-2H-chromen-4-yl)-3-hydroxyhexan-2-one has a molecular weight of 248.32 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 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-hydroxyhexan-2-one is sourced from PubChem (CID 103454025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).