3,4-dihydro-2H-chromen-8-yl-(1,1-dioxothian-2-yl)methanone

C15H18O4S — CID 115811367

IUPAC3,4-dihydro-2H-chromen-8-yl-(1,1-dioxothian-2-yl)methanone
SMILESO=C(c1cccc2c1OCCC2)C1CCCCS1(=O)=O
InChIInChI=1S/C15H18O4S/c16-14(13-8-1-2-10-20(13,17)18)12-7-3-5-11-6-4-9-19-15(11)12/h3,5,7,13H,1-2,4,6,8-10H2
InChIKeyIOXYQHFQVKVQDD-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.16
Rot. Bonds2

About 3,4-dihydro-2H-chromen-8-yl-(1,1-dioxothian-2-yl)methanone

3,4-dihydro-2H-chromen-8-yl-(1,1-dioxothian-2-yl)methanone (PubChem CID 115811367) has the molecular formula C15H18O4S and a molecular weight of 294.37 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-8-yl-(1,1-dioxothian-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-8-yl-(1,1-dioxothian-2-yl)methanone
PubChem CID115811367
Molecular FormulaC15H18O4S
Molecular Weight294.37 g/mol
Exact Mass294.09
IUPAC Name3,4-dihydro-2H-chromen-8-yl-(1,1-dioxothian-2-yl)methanone
SMILESO=C(c1cccc2c1OCCC2)C1CCCCS1(=O)=O
InChIInChI=1S/C15H18O4S/c16-14(13-8-1-2-10-20(13,17)18)12-7-3-5-11-6-4-9-19-15(11)12/h3,5,7,13H,1-2,4,6,8-10H2
InChIKeyIOXYQHFQVKVQDD-UHFFFAOYSA-N
XLogP2.16
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-2H-chromen-8-yl-(1,1-dioxothiolan-3-yl)methanone
CID 114744329
3,4-dihydro-2H-chromen-6-yl-(1,1-dioxothian-2-yl)methanone
CID 104518109
1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 82599043
3,4-dihydro-2H-chromen-8-yl-(1,1-dioxothian-2-yl)methanamine
CID 105049108
(2-chlorofuran-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 106691322
2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)propan-1-one
CID 114748122
2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 114747936
1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methylphenyl)ethanone
CID 114744040
3,4-dihydro-2H-chromen-8-yl(thiadiazol-4-yl)methanone
CID 105133667
(E)-1-(3,4-dihydro-2H-chromen-8-yl)pent-2-en-1-one
CID 103454118
3,4-dihydro-2H-chromen-8-yl-(4-propylmorpholin-2-yl)methanone
CID 114744267
3,4-dihydro-2H-chromen-8-yl-(6-methyl-3-pyridinyl)methanone
CID 105133567

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(1,1-dioxothian-2-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(1,1-dioxothian-2-yl)methanone (CID 115811367) is 3,4-dihydro-2H-chromen-8-yl-(1,1-dioxothian-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-8-yl-(1,1-dioxothian-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-8-yl-(1,1-dioxothian-2-yl)methanone is O=C(c1cccc2c1OCCC2)C1CCCCS1(=O)=O.
What is the InChIKey of 3,4-dihydro-2H-chromen-8-yl-(1,1-dioxothian-2-yl)methanone?
The InChIKey is IOXYQHFQVKVQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4S/c16-14(13-8-1-2-10-20(13,17)18)12-7-3-5-11-6-4-9-19-15(11)12/h3,5,7,13H,1-2,4,6,8-10H2.
What are the key properties of 3,4-dihydro-2H-chromen-8-yl-(1,1-dioxothian-2-yl)methanone?
3,4-dihydro-2H-chromen-8-yl-(1,1-dioxothian-2-yl)methanone has a molecular weight of 294.37 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-8-yl-(1,1-dioxothian-2-yl)methanone is sourced from PubChem (CID 115811367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).