(5-chlorothiophen-2-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone

C15H13ClO2S — CID 63496229

IUPAC(5-chlorothiophen-2-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone
SMILESCC1(C)Cc2cc(C(=O)c3ccc(Cl)s3)ccc2O1
InChIInChI=1S/C15H13ClO2S/c1-15(2)8-10-7-9(3-4-11(10)18-15)14(17)12-5-6-13(16)19-12/h3-7H,8H2,1-2H3
InChIKeyTZZRIADXDHUTKS-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.35
Rot. Bonds2

About (5-chlorothiophen-2-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone

(5-chlorothiophen-2-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone (PubChem CID 63496229) has the molecular formula C15H13ClO2S and a molecular weight of 292.79 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone
PubChem CID63496229
Molecular FormulaC15H13ClO2S
Molecular Weight292.79 g/mol
Exact Mass292.03
IUPAC Name(5-chlorothiophen-2-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone
SMILESCC1(C)Cc2cc(C(=O)c3ccc(Cl)s3)ccc2O1
InChIInChI=1S/C15H13ClO2S/c1-15(2)8-10-7-9(3-4-11(10)18-15)14(17)12-5-6-13(16)19-12/h3-7H,8H2,1-2H3
InChIKeyTZZRIADXDHUTKS-UHFFFAOYSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone (CID 63496229) is (5-chlorothiophen-2-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone is CC1(C)Cc2cc(C(=O)c3ccc(Cl)s3)ccc2O1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone?
The InChIKey is TZZRIADXDHUTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2S/c1-15(2)8-10-7-9(3-4-11(10)18-15)14(17)12-5-6-13(16)19-12/h3-7H,8H2,1-2H3.
What are the key properties of (5-chlorothiophen-2-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone?
(5-chlorothiophen-2-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone has a molecular weight of 292.79 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone is sourced from PubChem (CID 63496229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).