2-(4-chlorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol

C17H15ClO2S — CID 114726793

IUPAC2-(4-chlorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol
SMILESCc1ccc2oc(C(O)CSc3ccc(Cl)cc3)cc2c1
InChIInChI=1S/C17H15ClO2S/c1-11-2-7-16-12(8-11)9-17(20-16)15(19)10-21-14-5-3-13(18)4-6-14/h2-9,15,19H,10H2,1H3
InChIKeySWVQGOKEYSJKLM-UHFFFAOYSA-N
MW318.82 g/mol
LogP5.22
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol

2-(4-chlorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol (PubChem CID 114726793) has the molecular formula C17H15ClO2S and a molecular weight of 318.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol
PubChem CID114726793
Molecular FormulaC17H15ClO2S
Molecular Weight318.82 g/mol
Exact Mass318.05
IUPAC Name2-(4-chlorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol
SMILESCc1ccc2oc(C(O)CSc3ccc(Cl)cc3)cc2c1
InChIInChI=1S/C17H15ClO2S/c1-11-2-7-16-12(8-11)9-17(20-16)15(19)10-21-14-5-3-13(18)4-6-14/h2-9,15,19H,10H2,1H3
InChIKeySWVQGOKEYSJKLM-UHFFFAOYSA-N
XLogP5.22
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.82
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726766
1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol
CID 114726614
2-(5-chloro-2-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 103053486
2-(3-bromophenyl)sulfanyl-1-(5-chloro-1-benzofuran-2-yl)ethanol
CID 114726811
2-(3,5-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726442
2-[1-chloro-2-(4-chlorophenyl)ethyl]-5-methyl-1-benzofuran
CID 63543684
(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol
CID 96826863
1-(5-chloro-1-benzofuran-2-yl)-3-(4-methylphenyl)propan-1-ol
CID 105129392
3-ethylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
CID 114724900
[1-(5-chloro-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine
CID 105228018
2-(2-chloro-6-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 63016559
1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanol
CID 114726287

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol (CID 114726793) is 2-(4-chlorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol is Cc1ccc2oc(C(O)CSc3ccc(Cl)cc3)cc2c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol?
The InChIKey is SWVQGOKEYSJKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO2S/c1-11-2-7-16-12(8-11)9-17(20-16)15(19)10-21-14-5-3-13(18)4-6-14/h2-9,15,19H,10H2,1H3.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol?
2-(4-chlorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol has a molecular weight of 318.82 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol is sourced from PubChem (CID 114726793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).