1-[5-(7-chloro-2-ethyl-2,3-dihydro-1-benzofuran-5-yl)thiophen-2-yl]ethanone

C16H15ClO2S — CID 144636773

IUPAC1-[5-(7-chloro-2-ethyl-2,3-dihydro-1-benzofuran-5-yl)thiophen-2-yl]ethanone
SMILESCCC1Cc2cc(-c3ccc(C(C)=O)s3)cc(Cl)c2O1
InChIInChI=1S/C16H15ClO2S/c1-3-12-7-11-6-10(8-13(17)16(11)19-12)15-5-4-14(20-15)9(2)18/h4-6,8,12H,3,7H2,1-2H3
InChIKeyBHOFWWNIHJHRIU-UHFFFAOYSA-N
MW306.81 g/mol
LogP4.98
Rot. Bonds3

About 1-[5-(7-chloro-2-ethyl-2,3-dihydro-1-benzofuran-5-yl)thiophen-2-yl]ethanone

1-[5-(7-chloro-2-ethyl-2,3-dihydro-1-benzofuran-5-yl)thiophen-2-yl]ethanone (PubChem CID 144636773) has the molecular formula C16H15ClO2S and a molecular weight of 306.81 g/mol. Its IUPAC name is 1-[5-(7-chloro-2-ethyl-2,3-dihydro-1-benzofuran-5-yl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(7-chloro-2-ethyl-2,3-dihydro-1-benzofuran-5-yl)thiophen-2-yl]ethanone
PubChem CID144636773
Molecular FormulaC16H15ClO2S
Molecular Weight306.81 g/mol
Exact Mass306.05
IUPAC Name1-[5-(7-chloro-2-ethyl-2,3-dihydro-1-benzofuran-5-yl)thiophen-2-yl]ethanone
SMILESCCC1Cc2cc(-c3ccc(C(C)=O)s3)cc(Cl)c2O1
InChIInChI=1S/C16H15ClO2S/c1-3-12-7-11-6-10(8-13(17)16(11)19-12)15-5-4-14(20-15)9(2)18/h4-6,8,12H,3,7H2,1-2H3
InChIKeyBHOFWWNIHJHRIU-UHFFFAOYSA-N
XLogP4.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(5-acetylthiophen-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide
CID 45174488
1-[5-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)thiophen-2-yl]ethanone
CID 90196018
3-acetamido-N-[[(2S)-5-(5-acetylthiophen-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 42366963
[5-(5-acetylthiophen-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-2-yl]-methylcarbamic acid
CID 122441263
N-[[(2S)-5-(5-acetylthiophen-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 26316399
(1R,2S,4R)-N-[[(2S)-5-(5-acetylthiophen-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-2-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42164147
(E)-5-[5-(5-acetylthiophen-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-2-yl]-1-(1,2-oxazol-5-yl)pent-1-en-3-one
CID 160888801
(E)-5-[5-(5-acetylthiophen-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-2-yl]-1-(1H-pyrrol-3-yl)pent-1-en-3-one
CID 158795818
(E)-N-[[5-(5-acetylthiophen-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(6-amino-3-pyridinyl)prop-2-enamide
CID 90190831
N-[[5-(5-acetylthiophen-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(1,2-oxazol-5-yl)prop-2-enamide
CID 123366513
(E)-N-[[5-(5-acetylthiophen-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[6-(methylamino)-3-pyridinyl]prop-2-enamide
CID 90195990
(Z)-N-[[5-(5-acetylthiophen-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-pyridin-3-ylprop-2-enamide
CID 90196083

Frequently Asked Questions

What is the IUPAC name of 1-[5-(7-chloro-2-ethyl-2,3-dihydro-1-benzofuran-5-yl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-(7-chloro-2-ethyl-2,3-dihydro-1-benzofuran-5-yl)thiophen-2-yl]ethanone (CID 144636773) is 1-[5-(7-chloro-2-ethyl-2,3-dihydro-1-benzofuran-5-yl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-(7-chloro-2-ethyl-2,3-dihydro-1-benzofuran-5-yl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-(7-chloro-2-ethyl-2,3-dihydro-1-benzofuran-5-yl)thiophen-2-yl]ethanone is CCC1Cc2cc(-c3ccc(C(C)=O)s3)cc(Cl)c2O1.
What is the InChIKey of 1-[5-(7-chloro-2-ethyl-2,3-dihydro-1-benzofuran-5-yl)thiophen-2-yl]ethanone?
The InChIKey is BHOFWWNIHJHRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2S/c1-3-12-7-11-6-10(8-13(17)16(11)19-12)15-5-4-14(20-15)9(2)18/h4-6,8,12H,3,7H2,1-2H3.
What are the key properties of 1-[5-(7-chloro-2-ethyl-2,3-dihydro-1-benzofuran-5-yl)thiophen-2-yl]ethanone?
1-[5-(7-chloro-2-ethyl-2,3-dihydro-1-benzofuran-5-yl)thiophen-2-yl]ethanone has a molecular weight of 306.81 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(7-chloro-2-ethyl-2,3-dihydro-1-benzofuran-5-yl)thiophen-2-yl]ethanone is sourced from PubChem (CID 144636773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).