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

C24H16ClNO — CID 127032595

IUPAC3-[4-(3-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol
SMILESOc1cccc(-c2cc(-c3cccc(Cl)c3)c3c(n2)-c2ccccc2C3)c1
InChIInChI=1S/C24H16ClNO/c25-18-8-3-6-15(11-18)21-14-23(17-7-4-9-19(27)12-17)26-24-20-10-2-1-5-16(20)13-22(21)24/h1-12,14,27H,13H2
InChIKeyDXTQALHTYZMPGC-UHFFFAOYSA-N
MW369.85 g/mol
LogP6.35
Rot. Bonds2

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

3-[4-(3-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol (PubChem CID 127032595) has the molecular formula C24H16ClNO and a molecular weight of 369.85 g/mol. Its IUPAC name is 3-[4-(3-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol.

Molecular Properties

Compound Name3-[4-(3-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol
PubChem CID127032595
Molecular FormulaC24H16ClNO
Molecular Weight369.85 g/mol
Exact Mass369.09
IUPAC Name3-[4-(3-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol
SMILESOc1cccc(-c2cc(-c3cccc(Cl)c3)c3c(n2)-c2ccccc2C3)c1
InChIInChI=1S/C24H16ClNO/c25-18-8-3-6-15(11-18)21-14-23(17-7-4-9-19(27)12-17)26-24-20-10-2-1-5-16(20)13-22(21)24/h1-12,14,27H,13H2
InChIKeyDXTQALHTYZMPGC-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 3-[4-(3-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol?
The IUPAC name of 3-[4-(3-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol (CID 127032595) is 3-[4-(3-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol.
What is the SMILES notation for 3-[4-(3-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol?
The canonical SMILES for 3-[4-(3-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol is Oc1cccc(-c2cc(-c3cccc(Cl)c3)c3c(n2)-c2ccccc2C3)c1.
What is the InChIKey of 3-[4-(3-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol?
The InChIKey is DXTQALHTYZMPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClNO/c25-18-8-3-6-15(11-18)21-14-23(17-7-4-9-19(27)12-17)26-24-20-10-2-1-5-16(20)13-22(21)24/h1-12,14,27H,13H2.
What are the key properties of 3-[4-(3-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol?
3-[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 3-[4-(3-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol is sourced from PubChem (CID 127032595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).