2-(3-chlorophenyl)-4-phenylsulfanylbenzo[g][1]benzofuran-5-ol

C24H15ClO2S — CID 14492364

IUPAC2-(3-chlorophenyl)-4-phenylsulfanylbenzo[g][1]benzofuran-5-ol
SMILESOc1c(Sc2ccccc2)c2cc(-c3cccc(Cl)c3)oc2c2ccccc12
InChIInChI=1S/C24H15ClO2S/c25-16-8-6-7-15(13-16)21-14-20-23(27-21)19-12-5-4-11-18(19)22(26)24(20)28-17-9-2-1-3-10-17/h1-14,26H
InChIKeyPCNADOYJHIOLTN-UHFFFAOYSA-N
MW402.90 g/mol
LogP7.76
Rot. Bonds3

About 2-(3-chlorophenyl)-4-phenylsulfanylbenzo[g][1]benzofuran-5-ol

2-(3-chlorophenyl)-4-phenylsulfanylbenzo[g][1]benzofuran-5-ol (PubChem CID 14492364) has the molecular formula C24H15ClO2S and a molecular weight of 402.90 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-phenylsulfanylbenzo[g][1]benzofuran-5-ol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-phenylsulfanylbenzo[g][1]benzofuran-5-ol
PubChem CID14492364
Molecular FormulaC24H15ClO2S
Molecular Weight402.90 g/mol
Exact Mass402.05
IUPAC Name2-(3-chlorophenyl)-4-phenylsulfanylbenzo[g][1]benzofuran-5-ol
SMILESOc1c(Sc2ccccc2)c2cc(-c3cccc(Cl)c3)oc2c2ccccc12
InChIInChI=1S/C24H15ClO2S/c25-16-8-6-7-15(13-16)21-14-20-23(27-21)19-12-5-4-11-18(19)22(26)24(20)28-17-9-2-1-3-10-17/h1-14,26H
InChIKeyPCNADOYJHIOLTN-UHFFFAOYSA-N
XLogP7.76
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.90
LogP ≤ 57.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-phenylsulfanylbenzo[g][1]benzofuran-5-ol?
The IUPAC name of 2-(3-chlorophenyl)-4-phenylsulfanylbenzo[g][1]benzofuran-5-ol (CID 14492364) is 2-(3-chlorophenyl)-4-phenylsulfanylbenzo[g][1]benzofuran-5-ol.
What is the SMILES notation for 2-(3-chlorophenyl)-4-phenylsulfanylbenzo[g][1]benzofuran-5-ol?
The canonical SMILES for 2-(3-chlorophenyl)-4-phenylsulfanylbenzo[g][1]benzofuran-5-ol is Oc1c(Sc2ccccc2)c2cc(-c3cccc(Cl)c3)oc2c2ccccc12.
What is the InChIKey of 2-(3-chlorophenyl)-4-phenylsulfanylbenzo[g][1]benzofuran-5-ol?
The InChIKey is PCNADOYJHIOLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClO2S/c25-16-8-6-7-15(13-16)21-14-20-23(27-21)19-12-5-4-11-18(19)22(26)24(20)28-17-9-2-1-3-10-17/h1-14,26H.
What are the key properties of 2-(3-chlorophenyl)-4-phenylsulfanylbenzo[g][1]benzofuran-5-ol?
2-(3-chlorophenyl)-4-phenylsulfanylbenzo[g][1]benzofuran-5-ol has a molecular weight of 402.90 g/mol, XLogP of 7.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-phenylsulfanylbenzo[g][1]benzofuran-5-ol is sourced from PubChem (CID 14492364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).