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

C16H20O3 — CID 115798747

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methyloxolan-2-yl)ethanone
SMILESCC1CCOC1C(=O)CC1CCOc2ccccc21
InChIInChI=1S/C16H20O3/c1-11-6-8-19-16(11)14(17)10-12-7-9-18-15-5-3-2-4-13(12)15/h2-5,11-12,16H,6-10H2,1H3
InChIKeyKEGNJUQKASEVHX-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.94
Rot. Bonds3

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

2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methyloxolan-2-yl)ethanone (PubChem CID 115798747) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methyloxolan-2-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methyloxolan-2-yl)ethanone
PubChem CID115798747
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methyloxolan-2-yl)ethanone
SMILESCC1CCOC1C(=O)CC1CCOc2ccccc21
InChIInChI=1S/C16H20O3/c1-11-6-8-19-16(11)14(17)10-12-7-9-18-15-5-3-2-4-13(12)15/h2-5,11-12,16H,6-10H2,1H3
InChIKeyKEGNJUQKASEVHX-UHFFFAOYSA-N
XLogP2.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.94
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-(dimethylamino)propan-2-one
CID 104769876
1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one
CID 104769754
2-(3,4-dihydro-2H-chromen-4-yl)-1-(1,4-oxathian-2-yl)ethanone
CID 113451283
2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone
CID 104769745
2-(3,4-dihydro-2H-chromen-4-yl)-1-(thiolan-2-yl)ethanone
CID 113451289
1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one
CID 104769879
N-butan-2-yl-2-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 110680418
3-(aminomethyl)-1-(3,4-dihydro-2H-chromen-4-yl)-3-ethylpentan-2-one
CID 116603807
4-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanoic acid
CID 104772492
2-(3,4-dihydro-2H-chromen-4-yl)-1-piperidin-3-ylethanone
CID 116548013
2-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 63709217

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methyloxolan-2-yl)ethanone?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methyloxolan-2-yl)ethanone (CID 115798747) is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methyloxolan-2-yl)ethanone.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methyloxolan-2-yl)ethanone?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methyloxolan-2-yl)ethanone is CC1CCOC1C(=O)CC1CCOc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methyloxolan-2-yl)ethanone?
The InChIKey is KEGNJUQKASEVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-11-6-8-19-16(11)14(17)10-12-7-9-18-15-5-3-2-4-13(12)15/h2-5,11-12,16H,6-10H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methyloxolan-2-yl)ethanone?
2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methyloxolan-2-yl)ethanone has a molecular weight of 260.33 g/mol, XLogP of 2.94, 3 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-(3-methyloxolan-2-yl)ethanone is sourced from PubChem (CID 115798747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).