2-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone

C14H11ClO3S — CID 114967457

IUPAC2-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
SMILESO=C(Cc1ccc(Cl)s1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H11ClO3S/c15-14-4-2-10(19-14)8-11(16)9-1-3-12-13(7-9)18-6-5-17-12/h1-4,7H,5-6,8H2
InChIKeyXPILNYXJDWJIMX-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.60
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone

2-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone (PubChem CID 114967457) has the molecular formula C14H11ClO3S and a molecular weight of 294.76 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
PubChem CID114967457
Molecular FormulaC14H11ClO3S
Molecular Weight294.76 g/mol
Exact Mass294.01
IUPAC Name2-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
SMILESO=C(Cc1ccc(Cl)s1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H11ClO3S/c15-14-4-2-10(19-14)8-11(16)9-1-3-12-13(7-9)18-6-5-17-12/h1-4,7H,5-6,8H2
InChIKeyXPILNYXJDWJIMX-UHFFFAOYSA-N
XLogP3.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 115801790
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropanoic acid
CID 116917934
1-[(5-chlorothiophen-2-yl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)urea
CID 33410773
2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 114969698
2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanone
CID 55096306
N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide
CID 78792313
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,5-dimethylphenyl)ethanone
CID 62538671
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoate
CID 4102149
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3,3-trifluoropropan-1-one
CID 43159876
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide
CID 47005588
N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 28643615
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 114965179

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone (CID 114967457) is 2-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone is O=C(Cc1ccc(Cl)s1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone?
The InChIKey is XPILNYXJDWJIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3S/c15-14-4-2-10(19-14)8-11(16)9-1-3-12-13(7-9)18-6-5-17-12/h1-4,7H,5-6,8H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone?
2-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone has a molecular weight of 294.76 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone is sourced from PubChem (CID 114967457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).