3-[3-[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]phenyl]propan-1-ol

C23H22ClNO — CID 90109690

IUPAC3-[3-[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]phenyl]propan-1-ol
SMILESOCCCc1cccc(-c2cc(-c3cccc(Cl)c3)nc3c2CCC3)c1
InChIInChI=1S/C23H22ClNO/c24-19-9-2-8-18(14-19)23-15-21(20-10-3-11-22(20)25-23)17-7-1-5-16(13-17)6-4-12-26/h1-2,5,7-9,13-15,26H,3-4,6,10-12H2
InChIKeyMHAWZGDUDQVBBZ-UHFFFAOYSA-N
MW363.89 g/mol
LogP5.48
Rot. Bonds5

About 3-[3-[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]phenyl]propan-1-ol

3-[3-[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]phenyl]propan-1-ol (PubChem CID 90109690) has the molecular formula C23H22ClNO and a molecular weight of 363.89 g/mol. Its IUPAC name is 3-[3-[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[3-[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]phenyl]propan-1-ol
PubChem CID90109690
Molecular FormulaC23H22ClNO
Molecular Weight363.89 g/mol
Exact Mass363.14
IUPAC Name3-[3-[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]phenyl]propan-1-ol
SMILESOCCCc1cccc(-c2cc(-c3cccc(Cl)c3)nc3c2CCC3)c1
InChIInChI=1S/C23H22ClNO/c24-19-9-2-8-18(14-19)23-15-21(20-10-3-11-22(20)25-23)17-7-1-5-16(13-17)6-4-12-26/h1-2,5,7-9,13-15,26H,3-4,6,10-12H2
InChIKeyMHAWZGDUDQVBBZ-UHFFFAOYSA-N
XLogP5.48
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.89
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]phenyl]propan-1-ol?
The IUPAC name of 3-[3-[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]phenyl]propan-1-ol (CID 90109690) is 3-[3-[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]phenyl]propan-1-ol.
What is the SMILES notation for 3-[3-[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]phenyl]propan-1-ol?
The canonical SMILES for 3-[3-[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]phenyl]propan-1-ol is OCCCc1cccc(-c2cc(-c3cccc(Cl)c3)nc3c2CCC3)c1.
What is the InChIKey of 3-[3-[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]phenyl]propan-1-ol?
The InChIKey is MHAWZGDUDQVBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO/c24-19-9-2-8-18(14-19)23-15-21(20-10-3-11-22(20)25-23)17-7-1-5-16(13-17)6-4-12-26/h1-2,5,7-9,13-15,26H,3-4,6,10-12H2.
What are the key properties of 3-[3-[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]phenyl]propan-1-ol?
3-[3-[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]phenyl]propan-1-ol has a molecular weight of 363.89 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]phenyl]propan-1-ol is sourced from PubChem (CID 90109690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).