3-(3-chlorophenyl)sulfanyl-2,5-dimethyl-1-benzofuran

C16H13ClOS — CID 123804668

IUPAC3-(3-chlorophenyl)sulfanyl-2,5-dimethyl-1-benzofuran
SMILESCc1ccc2oc(C)c(Sc3cccc(Cl)c3)c2c1
InChIInChI=1S/C16H13ClOS/c1-10-6-7-15-14(8-10)16(11(2)18-15)19-13-5-3-4-12(17)9-13/h3-9H,1-2H3
InChIKeyOBRHFRIDXGNTJI-UHFFFAOYSA-N
MW288.80 g/mol
LogP5.85
Rot. Bonds2

About 3-(3-chlorophenyl)sulfanyl-2,5-dimethyl-1-benzofuran

3-(3-chlorophenyl)sulfanyl-2,5-dimethyl-1-benzofuran (PubChem CID 123804668) has the molecular formula C16H13ClOS and a molecular weight of 288.80 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfanyl-2,5-dimethyl-1-benzofuran.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfanyl-2,5-dimethyl-1-benzofuran
PubChem CID123804668
Molecular FormulaC16H13ClOS
Molecular Weight288.80 g/mol
Exact Mass288.04
IUPAC Name3-(3-chlorophenyl)sulfanyl-2,5-dimethyl-1-benzofuran
SMILESCc1ccc2oc(C)c(Sc3cccc(Cl)c3)c2c1
InChIInChI=1S/C16H13ClOS/c1-10-6-7-15-14(8-10)16(11(2)18-15)19-13-5-3-4-12(17)9-13/h3-9H,1-2H3
InChIKeyOBRHFRIDXGNTJI-UHFFFAOYSA-N
XLogP5.85
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.80
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-3-(4-methylphenyl)sulfanylbenzene
CID 91027886
5-ethyl-3-(3-fluorophenyl)sulfanyl-2-methyl-1-benzofuran
CID 123228869
3-chloro-2,5-dimethyl-1-benzofuran
CID 90163019
2-methyl-3-phenylsulfanyl-5-propan-2-yl-1-benzofuran
CID 91085598
5-methyl-3-(4-methylphenyl)sulfanyl-2-phenyl-1-benzofuran
CID 102585445
2-(3-chlorophenyl)sulfanyl-1,3-dimethoxybenzene
CID 132568881
2-(3-chlorophenyl)sulfanyl-5-methylbenzonitrile
CID 107930974
6-chloro-3-(3-methylphenyl)sulfanylchromen-2-one
CID 12701704
2-(3-chlorophenyl)sulfanyl-1-(4-methylphenyl)ethanol
CID 66147302
9-chloro-2-methylbenzo[c]chromen-6-one
CID 10490538
6-benzyl-3-(3-chlorophenyl)sulfanyl-4-hydroxy-8-methylpyrano[3,2-c]quinoline-2,5-dione
CID 59241211
1-chloro-3-methylbenzene;ethane
CID 123907748

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfanyl-2,5-dimethyl-1-benzofuran?
The IUPAC name of 3-(3-chlorophenyl)sulfanyl-2,5-dimethyl-1-benzofuran (CID 123804668) is 3-(3-chlorophenyl)sulfanyl-2,5-dimethyl-1-benzofuran.
What is the SMILES notation for 3-(3-chlorophenyl)sulfanyl-2,5-dimethyl-1-benzofuran?
The canonical SMILES for 3-(3-chlorophenyl)sulfanyl-2,5-dimethyl-1-benzofuran is Cc1ccc2oc(C)c(Sc3cccc(Cl)c3)c2c1.
What is the InChIKey of 3-(3-chlorophenyl)sulfanyl-2,5-dimethyl-1-benzofuran?
The InChIKey is OBRHFRIDXGNTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClOS/c1-10-6-7-15-14(8-10)16(11(2)18-15)19-13-5-3-4-12(17)9-13/h3-9H,1-2H3.
What are the key properties of 3-(3-chlorophenyl)sulfanyl-2,5-dimethyl-1-benzofuran?
3-(3-chlorophenyl)sulfanyl-2,5-dimethyl-1-benzofuran has a molecular weight of 288.80 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfanyl-2,5-dimethyl-1-benzofuran is sourced from PubChem (CID 123804668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).