2-(3,4-dihydro-2H-chromen-4-yl)-1-(1-ethoxycyclopentyl)ethanone

C18H24O3 — CID 116747763

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-1-(1-ethoxycyclopentyl)ethanone
SMILESCCOC1(C(=O)CC2CCOc3ccccc32)CCCC1
InChIInChI=1S/C18H24O3/c1-2-21-18(10-5-6-11-18)17(19)13-14-9-12-20-16-8-4-3-7-15(14)16/h3-4,7-8,14H,2,5-6,9-13H2,1H3
InChIKeyNDUXQSOAVJWTKW-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.86
Rot. Bonds5

About 2-(3,4-dihydro-2H-chromen-4-yl)-1-(1-ethoxycyclopentyl)ethanone

2-(3,4-dihydro-2H-chromen-4-yl)-1-(1-ethoxycyclopentyl)ethanone (PubChem CID 116747763) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(1-ethoxycyclopentyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(1-ethoxycyclopentyl)ethanone
PubChem CID116747763
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(1-ethoxycyclopentyl)ethanone
SMILESCCOC1(C(=O)CC2CCOc3ccccc32)CCCC1
InChIInChI=1S/C18H24O3/c1-2-21-18(10-5-6-11-18)17(19)13-14-9-12-20-16-8-4-3-7-15(14)16/h3-4,7-8,14H,2,5-6,9-13H2,1H3
InChIKeyNDUXQSOAVJWTKW-UHFFFAOYSA-N
XLogP3.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
1-(3,4-dihydro-2H-chromen-4-yl)-3-ethoxy-3-ethylpentan-2-one
CID 116747190
1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one
CID 104769754
1-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclopentan-1-ol
CID 104769122
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
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethylcyclobutan-1-amine
CID 115907993
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone
CID 104769745
ethyl 2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoacetate
CID 62365066
1-(3,4-dihydro-2H-chromen-4-yl)-3-hydroxyhexan-2-one
CID 103454025

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(1-ethoxycyclopentyl)ethanone?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(1-ethoxycyclopentyl)ethanone (CID 116747763) is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(1-ethoxycyclopentyl)ethanone.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(1-ethoxycyclopentyl)ethanone?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(1-ethoxycyclopentyl)ethanone is CCOC1(C(=O)CC2CCOc3ccccc32)CCCC1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(1-ethoxycyclopentyl)ethanone?
The InChIKey is NDUXQSOAVJWTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c1-2-21-18(10-5-6-11-18)17(19)13-14-9-12-20-16-8-4-3-7-15(14)16/h3-4,7-8,14H,2,5-6,9-13H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(1-ethoxycyclopentyl)ethanone?
2-(3,4-dihydro-2H-chromen-4-yl)-1-(1-ethoxycyclopentyl)ethanone has a molecular weight of 288.39 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(1-ethoxycyclopentyl)ethanone is sourced from PubChem (CID 116747763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).