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

C18H14OS — CID 115813823

IUPAC1-benzothiophen-2-yl-(2-phenylcyclopropyl)methanone
SMILESO=C(c1cc2ccccc2s1)C1CC1c1ccccc1
InChIInChI=1S/C18H14OS/c19-18(15-11-14(15)12-6-2-1-3-7-12)17-10-13-8-4-5-9-16(13)20-17/h1-10,14-15H,11H2
InChIKeyUQBHTAXITGBXRQ-UHFFFAOYSA-N
MW278.38 g/mol
LogP4.89
Rot. Bonds3

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

1-benzothiophen-2-yl-(2-phenylcyclopropyl)methanone (PubChem CID 115813823) has the molecular formula C18H14OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-(2-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl-(2-phenylcyclopropyl)methanone
PubChem CID115813823
Molecular FormulaC18H14OS
Molecular Weight278.38 g/mol
Exact Mass278.08
IUPAC Name1-benzothiophen-2-yl-(2-phenylcyclopropyl)methanone
SMILESO=C(c1cc2ccccc2s1)C1CC1c1ccccc1
InChIInChI=1S/C18H14OS/c19-18(15-11-14(15)12-6-2-1-3-7-12)17-10-13-8-4-5-9-16(13)20-17/h1-10,14-15H,11H2
InChIKeyUQBHTAXITGBXRQ-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

bis(1-benzothiophen-2-yl)methanone
CID 5330534
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
(2-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106784849
1-benzothiophen-2-yl(phenyl)methanone
CID 3842890
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
1-benzothiophen-7-yl-(2-phenylcyclopropyl)methanone
CID 115791036
1-(1-benzothiophene-2-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106741898
5-(2-phenylcyclopropanecarbonyl)furan-2-carboxylic acid
CID 106946658
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1-benzothiophene-2-carboxamide
CID 62525440
1-benzothiophen-2-yl-[(7R)-7-phenyl-1,4-thiazepan-4-yl]methanone
CID 99884152
1,5-bis(1-benzothiophen-2-yl)pentane-1,5-dione
CID 11850792
trans-(1S,2S)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 51888068

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-(2-phenylcyclopropyl)methanone?
The IUPAC name of 1-benzothiophen-2-yl-(2-phenylcyclopropyl)methanone (CID 115813823) is 1-benzothiophen-2-yl-(2-phenylcyclopropyl)methanone.
What is the SMILES notation for 1-benzothiophen-2-yl-(2-phenylcyclopropyl)methanone?
The canonical SMILES for 1-benzothiophen-2-yl-(2-phenylcyclopropyl)methanone is O=C(c1cc2ccccc2s1)C1CC1c1ccccc1.
What is the InChIKey of 1-benzothiophen-2-yl-(2-phenylcyclopropyl)methanone?
The InChIKey is UQBHTAXITGBXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14OS/c19-18(15-11-14(15)12-6-2-1-3-7-12)17-10-13-8-4-5-9-16(13)20-17/h1-10,14-15H,11H2.
What are the key properties of 1-benzothiophen-2-yl-(2-phenylcyclopropyl)methanone?
1-benzothiophen-2-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-2-yl-(2-phenylcyclopropyl)methanone is sourced from PubChem (CID 115813823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).