1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-one

C17H17ClO2S — CID 105126597

IUPAC1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-one
SMILESO=C(CCCc1cccs1)Cc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C17H17ClO2S/c18-14-9-12-6-7-20-17(12)13(10-14)11-15(19)3-1-4-16-5-2-8-21-16/h2,5,8-10H,1,3-4,6-7,11H2
InChIKeyILHIMASCSHHWIO-UHFFFAOYSA-N
MW320.84 g/mol
LogP4.47
Rot. Bonds6

About 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-one

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-one (PubChem CID 105126597) has the molecular formula C17H17ClO2S and a molecular weight of 320.84 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-one.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-one
PubChem CID105126597
Molecular FormulaC17H17ClO2S
Molecular Weight320.84 g/mol
Exact Mass320.06
IUPAC Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-one
SMILESO=C(CCCc1cccs1)Cc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C17H17ClO2S/c18-14-9-12-6-7-20-17(12)13(10-14)11-15(19)3-1-4-16-5-2-8-21-16/h2,5,8-10H,1,3-4,6-7,11H2
InChIKeyILHIMASCSHHWIO-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)decan-2-one
CID 115796413
1-(4-chlorophenyl)-5-thiophen-2-ylpentan-2-one
CID 61078054
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-(propan-2-ylamino)pentan-2-one
CID 116558182
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-(propan-2-ylamino)propan-2-one
CID 116554886
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)but-3-en-2-one
CID 103453608
1-(2,5-dimethylphenyl)-5-thiophen-2-ylpentan-2-one
CID 62538353
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(ethylamino)pentan-2-one
CID 116566712
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-amine
CID 105178514
3-amino-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methylhexan-2-one
CID 116557022
1-(3,4-dichlorophenyl)-4-thiophen-2-ylbutan-1-one
CID 105076244
1-(2-bromo-6-fluorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 114885386
3-oxo-6-thiophen-2-ylhexanenitrile
CID 28905616

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-one?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-one (CID 105126597) is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-one.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-one?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-one is O=C(CCCc1cccs1)Cc1cc(Cl)cc2c1OCC2.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-one?
The InChIKey is ILHIMASCSHHWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2S/c18-14-9-12-6-7-20-17(12)13(10-14)11-15(19)3-1-4-16-5-2-8-21-16/h2,5,8-10H,1,3-4,6-7,11H2.
What are the key properties of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-one?
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-one has a molecular weight of 320.84 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-one is sourced from PubChem (CID 105126597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).