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

C15H20O2 — CID 55227243

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)C1CCOc2ccccc21
InChIInChI=1S/C15H20O2/c1-3-6-11(2)15(16)13-9-10-17-14-8-5-4-7-12(13)14/h4-5,7-8,11,13H,3,6,9-10H2,1-2H3
InChIKeyPEAMCGTYOFRGSZ-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.56
Rot. Bonds4

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

1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-one (PubChem CID 55227243) 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)-2-methylpentan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-one
PubChem CID55227243
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)C1CCOc2ccccc21
InChIInChI=1S/C15H20O2/c1-3-6-11(2)15(16)13-9-10-17-14-8-5-4-7-12(13)14/h4-5,7-8,11,13H,3,6,9-10H2,1-2H3
InChIKeyPEAMCGTYOFRGSZ-UHFFFAOYSA-N
XLogP3.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-3-methylhexan-1-one
CID 65409121
2-methyl-1-(1,2,3,4-tetrahydroquinolin-4-yl)pentan-1-one
CID 107890284
(2S)-3-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]-methylamino]-2-methylpropanoic acid
CID 124556443
(2R)-3-[[(4S)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-2-methylpropanoic acid
CID 124556466
2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)pentanoic acid
CID 62366276
N-[(2S)-2-hydroxypropyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 83030362
1-(3,4-dihydro-2H-chromen-4-yl)-3-hydroxyhexan-2-one
CID 103454025
(3S)-3-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]butanoic acid
CID 97211252
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylacetamide
CID 60693874
1-(3,4-dihydro-2H-chromen-4-yl)butan-1-ol
CID 65411536
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 79246427
2-[1-(3,4-dihydro-2H-chromene-4-carbonyl)azetidin-3-yl]propanoic acid
CID 116680981

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-one (CID 55227243) is 1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-one is CCCC(C)C(=O)C1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-one?
The InChIKey is PEAMCGTYOFRGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-3-6-11(2)15(16)13-9-10-17-14-8-5-4-7-12(13)14/h4-5,7-8,11,13H,3,6,9-10H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-one?
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-one has a molecular weight of 232.32 g/mol, XLogP of 3.56, 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)-2-methylpentan-1-one is sourced from PubChem (CID 55227243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).