(3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3H-2-benzofuran-1-one

C14H9ClO3S — CID 6925216

IUPAC(3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3H-2-benzofuran-1-one
SMILESO=C(C[C@H]1OC(=O)c2ccccc21)c1ccc(Cl)s1
InChIInChI=1S/C14H9ClO3S/c15-13-6-5-12(19-13)10(16)7-11-8-3-1-2-4-9(8)14(17)18-11/h1-6,11H,7H2/t11-/m1/s1
InChIKeyBVSAZXANXALXQP-LLVKDONJSA-N
MW292.74 g/mol
LogP3.89
Rot. Bonds3

About (3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3H-2-benzofuran-1-one

(3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3H-2-benzofuran-1-one (PubChem CID 6925216) has the molecular formula C14H9ClO3S and a molecular weight of 292.74 g/mol. Its IUPAC name is (3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name(3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3H-2-benzofuran-1-one
PubChem CID6925216
Molecular FormulaC14H9ClO3S
Molecular Weight292.74 g/mol
Exact Mass292.00
IUPAC Name(3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3H-2-benzofuran-1-one
SMILESO=C(C[C@H]1OC(=O)c2ccccc21)c1ccc(Cl)s1
InChIInChI=1S/C14H9ClO3S/c15-13-6-5-12(19-13)10(16)7-11-8-3-1-2-4-9(8)14(17)18-11/h1-6,11H,7H2/t11-/m1/s1
InChIKeyBVSAZXANXALXQP-LLVKDONJSA-N
XLogP3.89
TPSA43.37 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 ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-oxo-2-(2,3,4-trichlorophenyl)ethyl]-3H-2-benzofuran-1-one
CID 54341151
3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-3H-2-benzofuran-1-one
CID 15619731
3-[2-(2-methylphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one
CID 127046240
(3R)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one
CID 2187607
N,N-dimethyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
CID 16741594
4-[2-(3-oxo-1H-2-benzofuran-1-yl)acetyl]benzonitrile
CID 66550928
3-[2-(4-nitrophenyl)-2-oxoethyl]-3H-2-benzofuran-1-one
CID 2731394
N-cyclopropyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
CID 4791695
3-[2-(4-chlorophenyl)-2-hydrazinylideneethyl]-3H-2-benzofuran-1-one
CID 3389277
3-[2-[8-(5-acetylthiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one
CID 3817060
(3R)-3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3H-2-benzofuran-1-one
CID 2477905
3-(3-hydroxypropyl)-3H-2-benzofuran-1-one
CID 15224510

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3H-2-benzofuran-1-one?
The IUPAC name of (3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3H-2-benzofuran-1-one (CID 6925216) is (3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3H-2-benzofuran-1-one.
What is the SMILES notation for (3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3H-2-benzofuran-1-one?
The canonical SMILES for (3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3H-2-benzofuran-1-one is O=C(C[C@H]1OC(=O)c2ccccc21)c1ccc(Cl)s1.
What is the InChIKey of (3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3H-2-benzofuran-1-one?
The InChIKey is BVSAZXANXALXQP-LLVKDONJSA-N. The full InChI is InChI=1S/C14H9ClO3S/c15-13-6-5-12(19-13)10(16)7-11-8-3-1-2-4-9(8)14(17)18-11/h1-6,11H,7H2/t11-/m1/s1.
What are the key properties of (3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3H-2-benzofuran-1-one?
(3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3H-2-benzofuran-1-one has a molecular weight of 292.74 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 6925216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).