4-benzyl-3-ethoxy-1-phenyl-1,4-dihydroisoquinoline

C24H23NO — CID 10925895

IUPAC4-benzyl-3-ethoxy-1-phenyl-1,4-dihydroisoquinoline
SMILESCCOC1=NC(c2ccccc2)c2ccccc2C1Cc1ccccc1
InChIInChI=1S/C24H23NO/c1-2-26-24-22(17-18-11-5-3-6-12-18)20-15-9-10-16-21(20)23(25-24)19-13-7-4-8-14-19/h3-16,22-23H,2,17H2,1H3
InChIKeyUVEIJAOBHFWRAZ-UHFFFAOYSA-N
MW341.45 g/mol
LogP5.55
Rot. Bonds4

About 4-benzyl-3-ethoxy-1-phenyl-1,4-dihydroisoquinoline

4-benzyl-3-ethoxy-1-phenyl-1,4-dihydroisoquinoline (PubChem CID 10925895) has the molecular formula C24H23NO and a molecular weight of 341.45 g/mol. Its IUPAC name is 4-benzyl-3-ethoxy-1-phenyl-1,4-dihydroisoquinoline.

Molecular Properties

Compound Name4-benzyl-3-ethoxy-1-phenyl-1,4-dihydroisoquinoline
PubChem CID10925895
Molecular FormulaC24H23NO
Molecular Weight341.45 g/mol
Exact Mass341.18
IUPAC Name4-benzyl-3-ethoxy-1-phenyl-1,4-dihydroisoquinoline
SMILESCCOC1=NC(c2ccccc2)c2ccccc2C1Cc1ccccc1
InChIInChI=1S/C24H23NO/c1-2-26-24-22(17-18-11-5-3-6-12-18)20-15-9-10-16-21(20)23(25-24)19-13-7-4-8-14-19/h3-16,22-23H,2,17H2,1H3
InChIKeyUVEIJAOBHFWRAZ-UHFFFAOYSA-N
XLogP5.55
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(4R)-2-benzhydryl-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-diphenylphosphane
CID 12178028
4-benzyl-3-ethoxy-1-phenyl-1H-2-benzazepine
CID 15047408
3-Ethoxy-1,4-dihydroisoquinoline
CID 15047390
(1S,2S)-1,2-Bis((S)-4-phenyl-4,5-dihydrooxazol-2-yl)cyclohexane
CID 11372252
(4R)-2-(2-methyl-2-phenylpropyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 101809608
(4S)-4-phenyl-2-[(2R)-2-phenylpropyl]-4,5-dihydro-1,3-oxazole
CID 101809609
(4R,4'R)-2,2'-(2-Phenylethane-1,1-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 127262970
(4S)-4-phenyl-2-[2-phenyl-1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]-4,5-dihydro-1,3-oxazole
CID 127262971
(4aS,10bS)-5-phenyl-3,4,4a,5,10a,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 134863942
10-Methoxy-1,8,12-trimethyl-11-phenyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6,9,11-pentaene
CID 435235
(1R,2S)-1,2-Bis((S)-4-phenyl-4,5-dihydrooxazol-2-yl)cyclohexane
CID 11717726
3-Ethoxy-1-phenyl-1,4-dihydroisoquinoline
CID 15047391

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-ethoxy-1-phenyl-1,4-dihydroisoquinoline?
The IUPAC name of 4-benzyl-3-ethoxy-1-phenyl-1,4-dihydroisoquinoline (CID 10925895) is 4-benzyl-3-ethoxy-1-phenyl-1,4-dihydroisoquinoline.
What is the SMILES notation for 4-benzyl-3-ethoxy-1-phenyl-1,4-dihydroisoquinoline?
The canonical SMILES for 4-benzyl-3-ethoxy-1-phenyl-1,4-dihydroisoquinoline is CCOC1=NC(c2ccccc2)c2ccccc2C1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-ethoxy-1-phenyl-1,4-dihydroisoquinoline?
The InChIKey is UVEIJAOBHFWRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO/c1-2-26-24-22(17-18-11-5-3-6-12-18)20-15-9-10-16-21(20)23(25-24)19-13-7-4-8-14-19/h3-16,22-23H,2,17H2,1H3.
What are the key properties of 4-benzyl-3-ethoxy-1-phenyl-1,4-dihydroisoquinoline?
4-benzyl-3-ethoxy-1-phenyl-1,4-dihydroisoquinoline has a molecular weight of 341.45 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-ethoxy-1-phenyl-1,4-dihydroisoquinoline is sourced from PubChem (CID 10925895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).