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

C18H26O3 — CID 116747190

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-3-ethoxy-3-ethylpentan-2-one
SMILESCCOC(CC)(CC)C(=O)CC1CCOc2ccccc21
InChIInChI=1S/C18H26O3/c1-4-18(5-2,21-6-3)17(19)13-14-11-12-20-16-10-8-7-9-15(14)16/h7-10,14H,4-6,11-13H2,1-3H3
InChIKeyATPCNUBMRGMCPY-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.11
Rot. Bonds7

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

1-(3,4-dihydro-2H-chromen-4-yl)-3-ethoxy-3-ethylpentan-2-one (PubChem CID 116747190) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-3-ethoxy-3-ethylpentan-2-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-3-ethoxy-3-ethylpentan-2-one
PubChem CID116747190
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-3-ethoxy-3-ethylpentan-2-one
SMILESCCOC(CC)(CC)C(=O)CC1CCOc2ccccc21
InChIInChI=1S/C18H26O3/c1-4-18(5-2,21-6-3)17(19)13-14-11-12-20-16-10-8-7-9-15(14)16/h7-10,14H,4-6,11-13H2,1-3H3
InChIKeyATPCNUBMRGMCPY-UHFFFAOYSA-N
XLogP4.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-1-(3,4-dihydro-2H-chromen-4-yl)-3-ethylpentan-2-one
CID 116603807
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one
CID 104769754
2-(3,4-dihydro-2H-chromen-4-yl)-1-(1-ethoxycyclopentyl)ethanone
CID 116747763
1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one
CID 104769879
1-(3,4-dihydro-2H-chromen-4-yl)-3-methoxypentan-2-one
CID 116707180
1-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)propan-2-one
CID 104769876
3-(3,4-dihydro-2H-chromen-4-yl)-1,1-diethoxypropan-2-ol
CID 104770040
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone
CID 104769745
1-(3,4-dihydro-2H-chromen-4-yl)-3-hydroxyhexan-2-one
CID 103454025
1-(3,4-dihydro-2H-chromen-4-yl)nonan-2-one
CID 115798863

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-ethoxy-3-ethylpentan-2-one?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-ethoxy-3-ethylpentan-2-one (CID 116747190) is 1-(3,4-dihydro-2H-chromen-4-yl)-3-ethoxy-3-ethylpentan-2-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-3-ethoxy-3-ethylpentan-2-one?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-3-ethoxy-3-ethylpentan-2-one is CCOC(CC)(CC)C(=O)CC1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-3-ethoxy-3-ethylpentan-2-one?
The InChIKey is ATPCNUBMRGMCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-4-18(5-2,21-6-3)17(19)13-14-11-12-20-16-10-8-7-9-15(14)16/h7-10,14H,4-6,11-13H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-3-ethoxy-3-ethylpentan-2-one?
1-(3,4-dihydro-2H-chromen-4-yl)-3-ethoxy-3-ethylpentan-2-one has a molecular weight of 290.40 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 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-ethoxy-3-ethylpentan-2-one is sourced from PubChem (CID 116747190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).