1-(3,4-dihydro-2H-chromen-8-yl)hexan-3-one

C15H20O2 — CID 114746846

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)hexan-3-one
SMILESCCCC(=O)CCc1cccc2c1OCCC2
InChIInChI=1S/C15H20O2/c1-2-5-14(16)10-9-13-7-3-6-12-8-4-11-17-15(12)13/h3,6-7H,2,4-5,8-11H2,1H3
InChIKeyLUYKROBMHSCGBI-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.31
Rot. Bonds5

About 1-(3,4-dihydro-2H-chromen-8-yl)hexan-3-one

1-(3,4-dihydro-2H-chromen-8-yl)hexan-3-one (PubChem CID 114746846) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)hexan-3-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)hexan-3-one
PubChem CID114746846
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)hexan-3-one
SMILESCCCC(=O)CCc1cccc2c1OCCC2
InChIInChI=1S/C15H20O2/c1-2-5-14(16)10-9-13-7-3-6-12-8-4-11-17-15(12)13/h3,6-7H,2,4-5,8-11H2,1H3
InChIKeyLUYKROBMHSCGBI-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)pentan-3-amine
CID 114746879
8-(2-methylpropyl)-3,4-dihydro-2H-chromene
CID 160635539
4-(3,4-dihydro-2H-chromen-8-yl)-N-propylbutan-2-amine
CID 114746902
2-(2,3,4,5-tetrahydro-1-benzoxepin-9-yl)ethanamine
CID 83829835
8-(3-bromo-2-methylpropyl)-3,4-dihydro-2H-chromene
CID 114747076
1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 82599043
1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methylphenyl)ethanone
CID 114744040
ethyl 5-(2,3-dihydro-1-benzofuran-7-yl)-4-oxopentanoate
CID 114746816
1-(3,4-dihydro-2H-chromen-8-yl)-N,4,4-trimethylpentan-3-amine
CID 114746942
1-(3,4-dihydro-2H-chromen-8-yl)-3-ethoxypropan-1-one
CID 105133620
(E)-1-(3,4-dihydro-2H-chromen-8-yl)pent-2-en-1-one
CID 103454118
3-(3,4-dihydro-2H-chromen-8-yl)-N-(2-methoxyethyl)propan-1-amine
CID 114746898

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)hexan-3-one?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)hexan-3-one (CID 114746846) is 1-(3,4-dihydro-2H-chromen-8-yl)hexan-3-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)hexan-3-one?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)hexan-3-one is CCCC(=O)CCc1cccc2c1OCCC2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)hexan-3-one?
The InChIKey is LUYKROBMHSCGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-2-5-14(16)10-9-13-7-3-6-12-8-4-11-17-15(12)13/h3,6-7H,2,4-5,8-11H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)hexan-3-one?
1-(3,4-dihydro-2H-chromen-8-yl)hexan-3-one has a molecular weight of 232.32 g/mol, XLogP of 3.31, 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-8-yl)hexan-3-one is sourced from PubChem (CID 114746846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).