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

C17H14O2S — CID 115791389

IUPAC1-benzothiophen-2-yl-(3-ethoxyphenyl)methanone
SMILESCCOc1cccc(C(=O)c2cc3ccccc3s2)c1
InChIInChI=1S/C17H14O2S/c1-2-19-14-8-5-7-13(10-14)17(18)16-11-12-6-3-4-9-15(12)20-16/h3-11H,2H2,1H3
InChIKeyUZHGIHNRDCHXOY-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.53
Rot. Bonds4

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

1-benzothiophen-2-yl-(3-ethoxyphenyl)methanone (PubChem CID 115791389) has the molecular formula C17H14O2S and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-(3-ethoxyphenyl)methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl-(3-ethoxyphenyl)methanone
PubChem CID115791389
Molecular FormulaC17H14O2S
Molecular Weight282.36 g/mol
Exact Mass282.07
IUPAC Name1-benzothiophen-2-yl-(3-ethoxyphenyl)methanone
SMILESCCOc1cccc(C(=O)c2cc3ccccc3s2)c1
InChIInChI=1S/C17H14O2S/c1-2-19-14-8-5-7-13(10-14)17(18)16-11-12-6-3-4-9-15(12)20-16/h3-11H,2H2,1H3
InChIKeyUZHGIHNRDCHXOY-UHFFFAOYSA-N
XLogP4.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanone
CID 115793890
(4,5-dimethylthiophen-2-yl)-(3-ethoxyphenyl)methanone
CID 115791309
1-benzothiophen-2-yl-(3-hydroxyphenyl)methanone
CID 118714408
1-benzothiophen-2-yl(phenyl)methanone
CID 3842890
1-benzothiophen-2-yl(quinolin-6-yl)methanone
CID 115790588
(3-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 62801807
1-(1-benzothiophen-2-yl)-2-ethoxyethanone
CID 115783077
ethyl 2-[2-(1-benzothiophene-2-carbonyl)-4,5-diethoxyphenyl]acetate
CID 69459339
[5-(1-benzothiophene-2-carbonyl)thiophen-2-yl]-(1-benzothiophen-2-yl)methanone
CID 58875873
1-benzothiophen-2-yl-(5-methylthiophen-3-yl)methanone
CID 114976116
1-benzothiophen-2-yl(quinolin-7-yl)methanone
CID 115791003
methyl 3-ethoxybenzoate
CID 3267781

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-(3-ethoxyphenyl)methanone?
The IUPAC name of 1-benzothiophen-2-yl-(3-ethoxyphenyl)methanone (CID 115791389) is 1-benzothiophen-2-yl-(3-ethoxyphenyl)methanone.
What is the SMILES notation for 1-benzothiophen-2-yl-(3-ethoxyphenyl)methanone?
The canonical SMILES for 1-benzothiophen-2-yl-(3-ethoxyphenyl)methanone is CCOc1cccc(C(=O)c2cc3ccccc3s2)c1.
What is the InChIKey of 1-benzothiophen-2-yl-(3-ethoxyphenyl)methanone?
The InChIKey is UZHGIHNRDCHXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2S/c1-2-19-14-8-5-7-13(10-14)17(18)16-11-12-6-3-4-9-15(12)20-16/h3-11H,2H2,1H3.
What are the key properties of 1-benzothiophen-2-yl-(3-ethoxyphenyl)methanone?
1-benzothiophen-2-yl-(3-ethoxyphenyl)methanone has a molecular weight of 282.36 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-(3-ethoxyphenyl)methanone is sourced from PubChem (CID 115791389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).