3-chloro-2-(3-dibenzofuran-3-ylphenyl)sulfanylbenzoic acid

C25H15ClO3S — CID 155483249

IUPAC3-chloro-2-(3-dibenzofuran-3-ylphenyl)sulfanylbenzoic acid
SMILESO=C(O)c1cccc(Cl)c1Sc1cccc(-c2ccc3c(c2)oc2ccccc23)c1
InChIInChI=1S/C25H15ClO3S/c26-21-9-4-8-20(25(27)28)24(21)30-17-6-3-5-15(13-17)16-11-12-19-18-7-1-2-10-22(18)29-23(19)14-16/h1-14H,(H,27,28)
InChIKeyVBQMAQDLRDHSLI-UHFFFAOYSA-N
MW430.91 g/mol
LogP7.76
Rot. Bonds4

About 3-chloro-2-(3-dibenzofuran-3-ylphenyl)sulfanylbenzoic acid

3-chloro-2-(3-dibenzofuran-3-ylphenyl)sulfanylbenzoic acid (PubChem CID 155483249) has the molecular formula C25H15ClO3S and a molecular weight of 430.91 g/mol. Its IUPAC name is 3-chloro-2-(3-dibenzofuran-3-ylphenyl)sulfanylbenzoic acid.

Molecular Properties

Compound Name3-chloro-2-(3-dibenzofuran-3-ylphenyl)sulfanylbenzoic acid
PubChem CID155483249
Molecular FormulaC25H15ClO3S
Molecular Weight430.91 g/mol
Exact Mass430.04
IUPAC Name3-chloro-2-(3-dibenzofuran-3-ylphenyl)sulfanylbenzoic acid
SMILESO=C(O)c1cccc(Cl)c1Sc1cccc(-c2ccc3c(c2)oc2ccccc23)c1
InChIInChI=1S/C25H15ClO3S/c26-21-9-4-8-20(25(27)28)24(21)30-17-6-3-5-15(13-17)16-11-12-19-18-7-1-2-10-22(18)29-23(19)14-16/h1-14H,(H,27,28)
InChIKeyVBQMAQDLRDHSLI-UHFFFAOYSA-N
XLogP7.76
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.91
LogP ≤ 57.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-6-phenylphenyl)dibenzofuran
CID 170666298
3-(2-chlorophenyl)dibenzofuran
CID 138667405
3-(3-triphenylen-2-ylphenyl)dibenzofuran
CID 118231138
3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 146350651
2-chloro-3-phenyldibenzofuran
CID 166918311
2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 138625830
2-dibenzofuran-3-yl-4-(3-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850239
2-(2-chlorophenyl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 166741775
2-(7-dibenzofuran-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 147277372
3-(3-methylphenyl)dibenzofuran
CID 70924364
2-dibenzofuran-3-yl-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 138625817
2-(4-dibenzofuran-3-ylphenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425264

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(3-dibenzofuran-3-ylphenyl)sulfanylbenzoic acid?
The IUPAC name of 3-chloro-2-(3-dibenzofuran-3-ylphenyl)sulfanylbenzoic acid (CID 155483249) is 3-chloro-2-(3-dibenzofuran-3-ylphenyl)sulfanylbenzoic acid.
What is the SMILES notation for 3-chloro-2-(3-dibenzofuran-3-ylphenyl)sulfanylbenzoic acid?
The canonical SMILES for 3-chloro-2-(3-dibenzofuran-3-ylphenyl)sulfanylbenzoic acid is O=C(O)c1cccc(Cl)c1Sc1cccc(-c2ccc3c(c2)oc2ccccc23)c1.
What is the InChIKey of 3-chloro-2-(3-dibenzofuran-3-ylphenyl)sulfanylbenzoic acid?
The InChIKey is VBQMAQDLRDHSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15ClO3S/c26-21-9-4-8-20(25(27)28)24(21)30-17-6-3-5-15(13-17)16-11-12-19-18-7-1-2-10-22(18)29-23(19)14-16/h1-14H,(H,27,28).
What are the key properties of 3-chloro-2-(3-dibenzofuran-3-ylphenyl)sulfanylbenzoic acid?
3-chloro-2-(3-dibenzofuran-3-ylphenyl)sulfanylbenzoic acid has a molecular weight of 430.91 g/mol, XLogP of 7.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(3-dibenzofuran-3-ylphenyl)sulfanylbenzoic acid is sourced from PubChem (CID 155483249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).