(4-hydroxy-4-phenyl-2,3,4a,5,6,7-hexahydroquinolin-1-yl)-phenylmethanone

C22H23NO2 — CID 68649294

IUPAC(4-hydroxy-4-phenyl-2,3,4a,5,6,7-hexahydroquinolin-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(O)(c2ccccc2)C2CCCC=C21
InChIInChI=1S/C22H23NO2/c24-21(17-9-3-1-4-10-17)23-16-15-22(25,18-11-5-2-6-12-18)19-13-7-8-14-20(19)23/h1-6,9-12,14,19,25H,7-8,13,15-16H2
InChIKeyGWKUJVLYOKCRFE-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.10
Rot. Bonds2

About (4-hydroxy-4-phenyl-2,3,4a,5,6,7-hexahydroquinolin-1-yl)-phenylmethanone

(4-hydroxy-4-phenyl-2,3,4a,5,6,7-hexahydroquinolin-1-yl)-phenylmethanone (PubChem CID 68649294) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is (4-hydroxy-4-phenyl-2,3,4a,5,6,7-hexahydroquinolin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-hydroxy-4-phenyl-2,3,4a,5,6,7-hexahydroquinolin-1-yl)-phenylmethanone
PubChem CID68649294
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name(4-hydroxy-4-phenyl-2,3,4a,5,6,7-hexahydroquinolin-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(O)(c2ccccc2)C2CCCC=C21
InChIInChI=1S/C22H23NO2/c24-21(17-9-3-1-4-10-17)23-16-15-22(25,18-11-5-2-6-12-18)19-13-7-8-14-20(19)23/h1-6,9-12,14,19,25H,7-8,13,15-16H2
InChIKeyGWKUJVLYOKCRFE-UHFFFAOYSA-N
XLogP4.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-phenyl-2,3,4a,5,6,7-hexahydroquinolin-1-yl)-phenylmethanone?
The IUPAC name of (4-hydroxy-4-phenyl-2,3,4a,5,6,7-hexahydroquinolin-1-yl)-phenylmethanone (CID 68649294) is (4-hydroxy-4-phenyl-2,3,4a,5,6,7-hexahydroquinolin-1-yl)-phenylmethanone.
What is the SMILES notation for (4-hydroxy-4-phenyl-2,3,4a,5,6,7-hexahydroquinolin-1-yl)-phenylmethanone?
The canonical SMILES for (4-hydroxy-4-phenyl-2,3,4a,5,6,7-hexahydroquinolin-1-yl)-phenylmethanone is O=C(c1ccccc1)N1CCC(O)(c2ccccc2)C2CCCC=C21.
What is the InChIKey of (4-hydroxy-4-phenyl-2,3,4a,5,6,7-hexahydroquinolin-1-yl)-phenylmethanone?
The InChIKey is GWKUJVLYOKCRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c24-21(17-9-3-1-4-10-17)23-16-15-22(25,18-11-5-2-6-12-18)19-13-7-8-14-20(19)23/h1-6,9-12,14,19,25H,7-8,13,15-16H2.
What are the key properties of (4-hydroxy-4-phenyl-2,3,4a,5,6,7-hexahydroquinolin-1-yl)-phenylmethanone?
(4-hydroxy-4-phenyl-2,3,4a,5,6,7-hexahydroquinolin-1-yl)-phenylmethanone has a molecular weight of 333.43 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-phenyl-2,3,4a,5,6,7-hexahydroquinolin-1-yl)-phenylmethanone is sourced from PubChem (CID 68649294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).