1-benzothiophen-7-yl-(2-phenylcyclopropyl)methanone

C18H14OS — CID 115791036

IUPAC1-benzothiophen-7-yl-(2-phenylcyclopropyl)methanone
SMILESO=C(c1cccc2ccsc12)C1CC1c1ccccc1
InChIInChI=1S/C18H14OS/c19-17(14-8-4-7-13-9-10-20-18(13)14)16-11-15(16)12-5-2-1-3-6-12/h1-10,15-16H,11H2
InChIKeyBXIKZSIKLLEVAP-UHFFFAOYSA-N
MW278.38 g/mol
LogP4.89
Rot. Bonds3

About 1-benzothiophen-7-yl-(2-phenylcyclopropyl)methanone

1-benzothiophen-7-yl-(2-phenylcyclopropyl)methanone (PubChem CID 115791036) has the molecular formula C18H14OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(2-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(2-phenylcyclopropyl)methanone
PubChem CID115791036
Molecular FormulaC18H14OS
Molecular Weight278.38 g/mol
Exact Mass278.08
IUPAC Name1-benzothiophen-7-yl-(2-phenylcyclopropyl)methanone
SMILESO=C(c1cccc2ccsc12)C1CC1c1ccccc1
InChIInChI=1S/C18H14OS/c19-17(14-8-4-7-13-9-10-20-18(13)14)16-11-15(16)12-5-2-1-3-6-12/h1-10,15-16H,11H2
InChIKeyBXIKZSIKLLEVAP-UHFFFAOYSA-N
XLogP4.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-phenylcyclopropyl)-quinolin-8-ylmethanone
CID 115790655
isoquinolin-5-yl-(2-phenylcyclopropyl)methanone
CID 114970918
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
1-benzothiophen-7-yl(pyrrolidin-2-yl)methanone
CID 116547417
(2-bromofuran-3-yl)-(2-phenylcyclopropyl)methanone
CID 106856807
(2,6-dimethyl-3-pyridinyl)-(2-phenylcyclopropyl)methanone
CID 105134802
1-benzothiophen-2-yl-(2-phenylcyclopropyl)methanone
CID 115813823
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
[(1R,2S)-2-phenylcyclopropyl]-pyridin-2-ylmethanone
CID 1471621
1-benzothiophen-7-yl-(1-methylcyclopropyl)methanone
CID 81154198
1-(1-benzothiophen-7-yl)-2-methylpropan-1-one
CID 81153250
(4-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone
CID 116517023

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl-(2-phenylcyclopropyl)methanone?
The IUPAC name of 1-benzothiophen-7-yl-(2-phenylcyclopropyl)methanone (CID 115791036) is 1-benzothiophen-7-yl-(2-phenylcyclopropyl)methanone.
What is the SMILES notation for 1-benzothiophen-7-yl-(2-phenylcyclopropyl)methanone?
The canonical SMILES for 1-benzothiophen-7-yl-(2-phenylcyclopropyl)methanone is O=C(c1cccc2ccsc12)C1CC1c1ccccc1.
What is the InChIKey of 1-benzothiophen-7-yl-(2-phenylcyclopropyl)methanone?
The InChIKey is BXIKZSIKLLEVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14OS/c19-17(14-8-4-7-13-9-10-20-18(13)14)16-11-15(16)12-5-2-1-3-6-12/h1-10,15-16H,11H2.
What are the key properties of 1-benzothiophen-7-yl-(2-phenylcyclopropyl)methanone?
1-benzothiophen-7-yl-(2-phenylcyclopropyl)methanone has a molecular weight of 278.38 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl-(2-phenylcyclopropyl)methanone is sourced from PubChem (CID 115791036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).