4-[4-(3-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol

C24H16ClNO — CID 137175159

IUPAC4-[4-(3-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol
SMILESOc1ccc(-c2cc(-c3cccc(Cl)c3)c3c(n2)-c2ccccc2C3)cc1
InChIInChI=1S/C24H16ClNO/c25-18-6-3-5-16(12-18)21-14-23(15-8-10-19(27)11-9-15)26-24-20-7-2-1-4-17(20)13-22(21)24/h1-12,14,27H,13H2
InChIKeyFBQYMEYJNZXCJV-UHFFFAOYSA-N
MW369.85 g/mol
LogP6.35
Rot. Bonds2

About 4-[4-(3-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol

4-[4-(3-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol (PubChem CID 137175159) has the molecular formula C24H16ClNO and a molecular weight of 369.85 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol
PubChem CID137175159
Molecular FormulaC24H16ClNO
Molecular Weight369.85 g/mol
Exact Mass369.09
IUPAC Name4-[4-(3-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol
SMILESOc1ccc(-c2cc(-c3cccc(Cl)c3)c3c(n2)-c2ccccc2C3)cc1
InChIInChI=1S/C24H16ClNO/c25-18-6-3-5-16(12-18)21-14-23(15-8-10-19(27)11-9-15)26-24-20-7-2-1-4-17(20)13-22(21)24/h1-12,14,27H,13H2
InChIKeyFBQYMEYJNZXCJV-UHFFFAOYSA-N
XLogP6.35
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.85
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol?
The IUPAC name of 4-[4-(3-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol (CID 137175159) is 4-[4-(3-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol.
What is the SMILES notation for 4-[4-(3-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol?
The canonical SMILES for 4-[4-(3-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol is Oc1ccc(-c2cc(-c3cccc(Cl)c3)c3c(n2)-c2ccccc2C3)cc1.
What is the InChIKey of 4-[4-(3-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol?
The InChIKey is FBQYMEYJNZXCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClNO/c25-18-6-3-5-16(12-18)21-14-23(15-8-10-19(27)11-9-15)26-24-20-7-2-1-4-17(20)13-22(21)24/h1-12,14,27H,13H2.
What are the key properties of 4-[4-(3-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol?
4-[4-(3-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol has a molecular weight of 369.85 g/mol, XLogP of 6.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol is sourced from PubChem (CID 137175159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).