1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanone

C19H16OS — CID 115813663

IUPAC1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanone
SMILESO=C(c1ccccc1C1CCC1)c1csc2ccccc12
InChIInChI=1S/C19H16OS/c20-19(17-12-21-18-11-4-3-9-15(17)18)16-10-2-1-8-14(16)13-6-5-7-13/h1-4,8-13H,5-7H2
InChIKeyRJGOKEFTCHSPMG-UHFFFAOYSA-N
MW292.40 g/mol
LogP5.40
Rot. Bonds3

About 1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanone

1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanone (PubChem CID 115813663) has the molecular formula C19H16OS and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanone.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanone
PubChem CID115813663
Molecular FormulaC19H16OS
Molecular Weight292.40 g/mol
Exact Mass292.09
IUPAC Name1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanone
SMILESO=C(c1ccccc1C1CCC1)c1csc2ccccc12
InChIInChI=1S/C19H16OS/c20-19(17-12-21-18-11-4-3-9-15(17)18)16-10-2-1-8-14(16)13-6-5-7-13/h1-4,8-13H,5-7H2
InChIKeyRJGOKEFTCHSPMG-UHFFFAOYSA-N
XLogP5.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.40
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzothiophen-3-yl-(2-bromophenyl)methanone
CID 43161888
(2-cyclohexylphenyl)-(2-methylphenyl)methanone
CID 86030332
1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanol
CID 114601265
(2-cyclobutylphenyl)-pyrimidin-2-ylmethanone
CID 114601750
(2-cyclohexylphenyl)-phenylmethanone
CID 22506424
(2-cyclobutylphenyl)-(2-methylfuran-3-yl)methanone
CID 114602101
(2-cyclobutylphenyl)-(4-methoxyphenyl)methanone
CID 114601682
(2-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanone
CID 114601779
(2-cyclobutylphenyl)-(2-methoxy-4-methylphenyl)methanone
CID 106790265
1-benzothiophen-3-yl(oxolan-2-yl)methanone
CID 43161875
1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanamine
CID 105052203
S-methyl 1-benzothiophene-3-carbothioate
CID 119090486

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanone?
The IUPAC name of 1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanone (CID 115813663) is 1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanone.
What is the SMILES notation for 1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanone?
The canonical SMILES for 1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanone is O=C(c1ccccc1C1CCC1)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanone?
The InChIKey is RJGOKEFTCHSPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16OS/c20-19(17-12-21-18-11-4-3-9-15(17)18)16-10-2-1-8-14(16)13-6-5-7-13/h1-4,8-13H,5-7H2.
What are the key properties of 1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanone?
1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanone has a molecular weight of 292.40 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanone is sourced from PubChem (CID 115813663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).