(3-chloro-1-benzothiophen-2-yl)methyl furan-2-carboxylate

C14H9ClO3S — CID 24557190

IUPAC(3-chloro-1-benzothiophen-2-yl)methyl furan-2-carboxylate
SMILESO=C(OCc1sc2ccccc2c1Cl)c1ccco1
InChIInChI=1S/C14H9ClO3S/c15-13-9-4-1-2-6-11(9)19-12(13)8-18-14(16)10-5-3-7-17-10/h1-7H,8H2
InChIKeyIQLDMIXDGOTUDZ-UHFFFAOYSA-N
MW292.74 g/mol
LogP4.50
Rot. Bonds3

About (3-chloro-1-benzothiophen-2-yl)methyl furan-2-carboxylate

(3-chloro-1-benzothiophen-2-yl)methyl furan-2-carboxylate (PubChem CID 24557190) has the molecular formula C14H9ClO3S and a molecular weight of 292.74 g/mol. Its IUPAC name is (3-chloro-1-benzothiophen-2-yl)methyl furan-2-carboxylate.

Molecular Properties

Compound Name(3-chloro-1-benzothiophen-2-yl)methyl furan-2-carboxylate
PubChem CID24557190
Molecular FormulaC14H9ClO3S
Molecular Weight292.74 g/mol
Exact Mass292.00
IUPAC Name(3-chloro-1-benzothiophen-2-yl)methyl furan-2-carboxylate
SMILESO=C(OCc1sc2ccccc2c1Cl)c1ccco1
InChIInChI=1S/C14H9ClO3S/c15-13-9-4-1-2-6-11(9)19-12(13)8-18-14(16)10-5-3-7-17-10/h1-7H,8H2
InChIKeyIQLDMIXDGOTUDZ-UHFFFAOYSA-N
XLogP4.50
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-1-benzothiophen-2-yl)methyl furan-2-carboxylate?
The IUPAC name of (3-chloro-1-benzothiophen-2-yl)methyl furan-2-carboxylate (CID 24557190) is (3-chloro-1-benzothiophen-2-yl)methyl furan-2-carboxylate.
What is the SMILES notation for (3-chloro-1-benzothiophen-2-yl)methyl furan-2-carboxylate?
The canonical SMILES for (3-chloro-1-benzothiophen-2-yl)methyl furan-2-carboxylate is O=C(OCc1sc2ccccc2c1Cl)c1ccco1.
What is the InChIKey of (3-chloro-1-benzothiophen-2-yl)methyl furan-2-carboxylate?
The InChIKey is IQLDMIXDGOTUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClO3S/c15-13-9-4-1-2-6-11(9)19-12(13)8-18-14(16)10-5-3-7-17-10/h1-7H,8H2.
What are the key properties of (3-chloro-1-benzothiophen-2-yl)methyl furan-2-carboxylate?
(3-chloro-1-benzothiophen-2-yl)methyl furan-2-carboxylate has a molecular weight of 292.74 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1-benzothiophen-2-yl)methyl furan-2-carboxylate is sourced from PubChem (CID 24557190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).