dibenzofuran-4-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone

C20H18O2S — CID 171939231

IUPACdibenzofuran-4-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(c1cccc2c1oc1ccccc12)C1CC2CCC(C1)S2
InChIInChI=1S/C20H18O2S/c21-19(12-10-13-8-9-14(11-12)23-13)17-6-3-5-16-15-4-1-2-7-18(15)22-20(16)17/h1-7,12-14H,8-11H2
InChIKeyBEESUBDENZJECF-UHFFFAOYSA-N
MW322.43 g/mol
LogP5.44
Rot. Bonds2

About dibenzofuran-4-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone

dibenzofuran-4-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171939231) has the molecular formula C20H18O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is dibenzofuran-4-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Namedibenzofuran-4-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171939231
Molecular FormulaC20H18O2S
Molecular Weight322.43 g/mol
Exact Mass322.10
IUPAC Namedibenzofuran-4-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(c1cccc2c1oc1ccccc12)C1CC2CCC(C1)S2
InChIInChI=1S/C20H18O2S/c21-19(12-10-13-8-9-14(11-12)23-13)17-6-3-5-16-15-4-1-2-7-18(15)22-20(16)17/h1-7,12-14H,8-11H2
InChIKeyBEESUBDENZJECF-UHFFFAOYSA-N
XLogP5.44
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.43
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-phenylphenyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171943252
1-dibenzofuran-4-ylethanone
CID 15691981
1-(dibenzofuran-4-carbonyl)piperidin-4-one
CID 17139340
(2-phenylphenyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171943261
9-thiabicyclo[3.3.1]nonan-3-yl-[2-(trifluoromethyl)phenyl]methanone
CID 171941524
(4-methoxynaphthalen-1-yl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171943186
N'-(4-fluorophenyl)dibenzofuran-4-carbohydrazide
CID 15942793
dibenzofuran-4-carboximidamide
CID 142482098
(3-ethylphenyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171944460
1-benzofuran-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171945816
CID 131879231
CID 131879231
4-[1-(2-methylphenyl)ethenyl]dibenzofuran
CID 144645412

Frequently Asked Questions

What is the IUPAC name of dibenzofuran-4-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of dibenzofuran-4-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone (CID 171939231) is dibenzofuran-4-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for dibenzofuran-4-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for dibenzofuran-4-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone is O=C(c1cccc2c1oc1ccccc12)C1CC2CCC(C1)S2.
What is the InChIKey of dibenzofuran-4-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is BEESUBDENZJECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2S/c21-19(12-10-13-8-9-14(11-12)23-13)17-6-3-5-16-15-4-1-2-7-18(15)22-20(16)17/h1-7,12-14H,8-11H2.
What are the key properties of dibenzofuran-4-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone?
dibenzofuran-4-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 322.43 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-4-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171939231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).