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

C15H18O3S — CID 113451283

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-1-(1,4-oxathian-2-yl)ethanone
SMILESO=C(CC1CCOc2ccccc21)C1CSCCO1
InChIInChI=1S/C15H18O3S/c16-13(15-10-19-8-7-18-15)9-11-5-6-17-14-4-2-1-3-12(11)14/h1-4,11,15H,5-10H2
InChIKeySQYRDLBCKLARPO-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.64
Rot. Bonds3

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

2-(3,4-dihydro-2H-chromen-4-yl)-1-(1,4-oxathian-2-yl)ethanone (PubChem CID 113451283) has the molecular formula C15H18O3S and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(1,4-oxathian-2-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(1,4-oxathian-2-yl)ethanone
PubChem CID113451283
Molecular FormulaC15H18O3S
Molecular Weight278.37 g/mol
Exact Mass278.10
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(1,4-oxathian-2-yl)ethanone
SMILESO=C(CC1CCOc2ccccc21)C1CSCCO1
InChIInChI=1S/C15H18O3S/c16-13(15-10-19-8-7-18-15)9-11-5-6-17-14-4-2-1-3-12(11)14/h1-4,11,15H,5-10H2
InChIKeySQYRDLBCKLARPO-UHFFFAOYSA-N
XLogP2.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methylthiomorpholin-3-yl)ethanone
CID 103595189
2-(3,4-dihydro-2H-chromen-4-yl)-1-(thiolan-2-yl)ethanone
CID 113451289
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methyloxolan-2-yl)ethanone
CID 115798747
2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone
CID 104769745
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-N-(thian-4-ylmethyl)acetamide
CID 97214483
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
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
N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-2-[methyl-[(3S)-thiolan-3-yl]amino]acetamide
CID 129378849
2-(3,4-dihydro-2H-chromen-4-yl)-1-piperidin-3-ylethanone
CID 116548013
(2R)-4-[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]morpholine-2-carboxylic acid
CID 125153787

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(1,4-oxathian-2-yl)ethanone?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(1,4-oxathian-2-yl)ethanone (CID 113451283) is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(1,4-oxathian-2-yl)ethanone.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(1,4-oxathian-2-yl)ethanone?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(1,4-oxathian-2-yl)ethanone is O=C(CC1CCOc2ccccc21)C1CSCCO1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(1,4-oxathian-2-yl)ethanone?
The InChIKey is SQYRDLBCKLARPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3S/c16-13(15-10-19-8-7-18-15)9-11-5-6-17-14-4-2-1-3-12(11)14/h1-4,11,15H,5-10H2.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(1,4-oxathian-2-yl)ethanone?
2-(3,4-dihydro-2H-chromen-4-yl)-1-(1,4-oxathian-2-yl)ethanone has a molecular weight of 278.37 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(1,4-oxathian-2-yl)ethanone is sourced from PubChem (CID 113451283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).