4-(4-chlorophenyl)-2-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-9-ol

C24H16ClNO2 — CID 155568424

IUPAC4-(4-chlorophenyl)-2-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-9-ol
SMILESOc1cccc(-c2cc(-c3ccc(Cl)cc3)c3c(n2)-c2c(O)cccc2C3)c1
InChIInChI=1S/C24H16ClNO2/c25-17-9-7-14(8-10-17)19-13-21(15-3-1-5-18(27)11-15)26-24-20(19)12-16-4-2-6-22(28)23(16)24/h1-11,13,27-28H,12H2
InChIKeyROZJQRZGRYSAOS-UHFFFAOYSA-N
MW385.85 g/mol
LogP6.05
Rot. Bonds2

About 4-(4-chlorophenyl)-2-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-9-ol

4-(4-chlorophenyl)-2-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-9-ol (PubChem CID 155568424) has the molecular formula C24H16ClNO2 and a molecular weight of 385.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-9-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-9-ol
PubChem CID155568424
Molecular FormulaC24H16ClNO2
Molecular Weight385.85 g/mol
Exact Mass385.09
IUPAC Name4-(4-chlorophenyl)-2-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-9-ol
SMILESOc1cccc(-c2cc(-c3ccc(Cl)cc3)c3c(n2)-c2c(O)cccc2C3)c1
InChIInChI=1S/C24H16ClNO2/c25-17-9-7-14(8-10-17)19-13-21(15-3-1-5-18(27)11-15)26-24-20(19)12-16-4-2-6-22(28)23(16)24/h1-11,13,27-28H,12H2
InChIKeyROZJQRZGRYSAOS-UHFFFAOYSA-N
XLogP6.05
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.85
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-9-ol?
The IUPAC name of 4-(4-chlorophenyl)-2-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-9-ol (CID 155568424) is 4-(4-chlorophenyl)-2-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-9-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-9-ol?
The canonical SMILES for 4-(4-chlorophenyl)-2-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-9-ol is Oc1cccc(-c2cc(-c3ccc(Cl)cc3)c3c(n2)-c2c(O)cccc2C3)c1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-9-ol?
The InChIKey is ROZJQRZGRYSAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClNO2/c25-17-9-7-14(8-10-17)19-13-21(15-3-1-5-18(27)11-15)26-24-20(19)12-16-4-2-6-22(28)23(16)24/h1-11,13,27-28H,12H2.
What are the key properties of 4-(4-chlorophenyl)-2-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-9-ol?
4-(4-chlorophenyl)-2-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-9-ol has a molecular weight of 385.85 g/mol, XLogP of 6.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-9-ol is sourced from PubChem (CID 155568424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).