5-[chloro-(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran

C15H15ClOS — CID 79975052

IUPAC5-[chloro-(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran
SMILESCCc1ccsc1C(Cl)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H15ClOS/c1-2-10-6-8-18-15(10)14(16)12-3-4-13-11(9-12)5-7-17-13/h3-4,6,8-9,14H,2,5,7H2,1H3
InChIKeyGTZMXBNTHQMMEX-UHFFFAOYSA-N
MW278.80 g/mol
LogP4.57
Rot. Bonds3

About 5-[chloro-(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran

5-[chloro-(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 79975052) has the molecular formula C15H15ClOS and a molecular weight of 278.80 g/mol. Its IUPAC name is 5-[chloro-(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-[chloro-(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID79975052
Molecular FormulaC15H15ClOS
Molecular Weight278.80 g/mol
Exact Mass278.05
IUPAC Name5-[chloro-(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran
SMILESCCc1ccsc1C(Cl)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H15ClOS/c1-2-10-6-8-18-15(10)14(16)12-3-4-13-11(9-12)5-7-17-13/h3-4,6,8-9,14H,2,5,7H2,1H3
InChIKeyGTZMXBNTHQMMEX-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.80
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-[chloro-(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 79985787
5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 115482879
1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 79985465
5-[chloro-(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63430181
6-[chloro-(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene
CID 61084680
5-[chloro-(5-ethylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 79084634
5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63430140
5-[chloro-(3-chloro-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63429924
5-(1-chloropentyl)-2,3-dihydro-1-benzofuran
CID 61086357
5-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89176252
5-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 61085337
5-[chloro(naphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63430345

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-[chloro-(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran (CID 79975052) is 5-[chloro-(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-[chloro-(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-[chloro-(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran is CCc1ccsc1C(Cl)c1ccc2c(c1)CCO2.
What is the InChIKey of 5-[chloro-(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is GTZMXBNTHQMMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClOS/c1-2-10-6-8-18-15(10)14(16)12-3-4-13-11(9-12)5-7-17-13/h3-4,6,8-9,14H,2,5,7H2,1H3.
What are the key properties of 5-[chloro-(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran?
5-[chloro-(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 278.80 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 79975052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).