2-(4-chlorophenyl)-4-(4-methylphenyl)-3,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-ol

C23H24ClNO — CID 3509430

IUPAC2-(4-chlorophenyl)-4-(4-methylphenyl)-3,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-ol
SMILESCc1ccc(C2=C3CCCCCC3=NC(O)(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C23H24ClNO/c1-16-7-9-17(10-8-16)21-15-23(26,18-11-13-19(24)14-12-18)25-22-6-4-2-3-5-20(21)22/h7-14,26H,2-6,15H2,1H3
InChIKeyAVYIGYAEVGROKY-UHFFFAOYSA-N
MW365.90 g/mol
LogP6.06
Rot. Bonds2

About 2-(4-chlorophenyl)-4-(4-methylphenyl)-3,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-ol

2-(4-chlorophenyl)-4-(4-methylphenyl)-3,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-ol (PubChem CID 3509430) has the molecular formula C23H24ClNO and a molecular weight of 365.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(4-methylphenyl)-3,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(4-methylphenyl)-3,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-ol
PubChem CID3509430
Molecular FormulaC23H24ClNO
Molecular Weight365.90 g/mol
Exact Mass365.15
IUPAC Name2-(4-chlorophenyl)-4-(4-methylphenyl)-3,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-ol
SMILESCc1ccc(C2=C3CCCCCC3=NC(O)(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C23H24ClNO/c1-16-7-9-17(10-8-16)21-15-23(26,18-11-13-19(24)14-12-18)25-22-6-4-2-3-5-20(21)22/h7-14,26H,2-6,15H2,1H3
InChIKeyAVYIGYAEVGROKY-UHFFFAOYSA-N
XLogP6.06
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.90
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)-4-(4-methylphenyl)-3,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-ol with MolForge

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Related Compounds

5-(4-Chlorophenyl)-2-hydroxy-2,4-diphenyl-2h-pyrrole-1-oxide
CID 129713520
2-(2-Chlorophenyl)-4,5-diphenylimidazol-2-ol
CID 151277453
[4-chloro-3-[(2E)-7,8-diethyl-3-methyl-6-(4-propan-2-ylphenyl)-4,5-dihydroazocin-2-yl]phenyl]methanol
CID 173794660
2,4-Bis(4-chlorophenyl)-3,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-ol
CID 4405685
2,4-bis(4-chlorophenyl)-3,5,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridin-2-ol hydrobromide
CID 24213650
2-(4-chlorophenyl)-4-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridin-2-ol hydrobromide
CID 24213651
(2R)-2-(4-chlorophenyl)-4-(4-methylphenyl)-3,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-ol
CID 92274028
(2S)-2-(4-chlorophenyl)-4-(4-methylphenyl)-3,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-ol
CID 92274029
(2R)-2,4-bis(4-chlorophenyl)-3,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-ol
CID 92275295
(2S)-2,4-bis(4-chlorophenyl)-3,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-ol
CID 92275296

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(4-methylphenyl)-3,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-ol?
The IUPAC name of 2-(4-chlorophenyl)-4-(4-methylphenyl)-3,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-ol (CID 3509430) is 2-(4-chlorophenyl)-4-(4-methylphenyl)-3,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(4-methylphenyl)-3,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-ol?
The canonical SMILES for 2-(4-chlorophenyl)-4-(4-methylphenyl)-3,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-ol is Cc1ccc(C2=C3CCCCCC3=NC(O)(c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(4-methylphenyl)-3,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-ol?
The InChIKey is AVYIGYAEVGROKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO/c1-16-7-9-17(10-8-16)21-15-23(26,18-11-13-19(24)14-12-18)25-22-6-4-2-3-5-20(21)22/h7-14,26H,2-6,15H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-4-(4-methylphenyl)-3,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-ol?
2-(4-chlorophenyl)-4-(4-methylphenyl)-3,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-ol has a molecular weight of 365.90 g/mol, XLogP of 6.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(4-methylphenyl)-3,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-ol is sourced from PubChem (CID 3509430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).