(4-chloro-1-benzofuran-2-yl)-thiophen-3-ylmethanone

C13H7ClO2S — CID 114321340

IUPAC(4-chloro-1-benzofuran-2-yl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)c1cc2c(Cl)cccc2o1
InChIInChI=1S/C13H7ClO2S/c14-10-2-1-3-11-9(10)6-12(16-11)13(15)8-4-5-17-7-8/h1-7H
InChIKeyYLSWGSFZDVWPLE-UHFFFAOYSA-N
MW262.72 g/mol
LogP4.38
Rot. Bonds2

About (4-chloro-1-benzofuran-2-yl)-thiophen-3-ylmethanone

(4-chloro-1-benzofuran-2-yl)-thiophen-3-ylmethanone (PubChem CID 114321340) has the molecular formula C13H7ClO2S and a molecular weight of 262.72 g/mol. Its IUPAC name is (4-chloro-1-benzofuran-2-yl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(4-chloro-1-benzofuran-2-yl)-thiophen-3-ylmethanone
PubChem CID114321340
Molecular FormulaC13H7ClO2S
Molecular Weight262.72 g/mol
Exact Mass261.99
IUPAC Name(4-chloro-1-benzofuran-2-yl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)c1cc2c(Cl)cccc2o1
InChIInChI=1S/C13H7ClO2S/c14-10-2-1-3-11-9(10)6-12(16-11)13(15)8-4-5-17-7-8/h1-7H
InChIKeyYLSWGSFZDVWPLE-UHFFFAOYSA-N
XLogP4.38
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanone
CID 114321311
(4-chloro-1-benzofuran-2-yl)-(4-ethylphenyl)methanone
CID 114321295
(4-chloro-1-benzofuran-2-yl)-cyclopropylmethanone
CID 114321321
(4-chloro-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
CID 114321301
propan-2-yl 4-chloro-1-benzofuran-2-carboxylate
CID 135395825
(5-methylfuro[3,2-b]pyridin-2-yl)-thiophen-3-ylmethanone
CID 79168682
(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanone
CID 24723405
1-(4-chloro-1-benzofuran-2-yl)propan-2-one
CID 117194376
2-amino-3-(thiophene-3-carbonyl)benzoic acid
CID 70497856
(3-chloro-5-methylphenyl)-thiophen-3-ylmethanone
CID 114975196
4-chloro-1-benzofuran-2-sulfonyl chloride
CID 83900452
(4-bromo-5-chloro-2-fluorophenyl)-thiophen-3-ylmethanone
CID 105398225

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-benzofuran-2-yl)-thiophen-3-ylmethanone?
The IUPAC name of (4-chloro-1-benzofuran-2-yl)-thiophen-3-ylmethanone (CID 114321340) is (4-chloro-1-benzofuran-2-yl)-thiophen-3-ylmethanone.
What is the SMILES notation for (4-chloro-1-benzofuran-2-yl)-thiophen-3-ylmethanone?
The canonical SMILES for (4-chloro-1-benzofuran-2-yl)-thiophen-3-ylmethanone is O=C(c1ccsc1)c1cc2c(Cl)cccc2o1.
What is the InChIKey of (4-chloro-1-benzofuran-2-yl)-thiophen-3-ylmethanone?
The InChIKey is YLSWGSFZDVWPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClO2S/c14-10-2-1-3-11-9(10)6-12(16-11)13(15)8-4-5-17-7-8/h1-7H.
What are the key properties of (4-chloro-1-benzofuran-2-yl)-thiophen-3-ylmethanone?
(4-chloro-1-benzofuran-2-yl)-thiophen-3-ylmethanone has a molecular weight of 262.72 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-benzofuran-2-yl)-thiophen-3-ylmethanone is sourced from PubChem (CID 114321340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).