2-phenoxy-1-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

C23H21NO2 — CID 37111198

IUPAC2-phenoxy-1-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
SMILESO=C(COc1ccccc1)N1Cc2ccccc2[C@H](c2ccccc2)C1
InChIInChI=1S/C23H21NO2/c25-23(17-26-20-12-5-2-6-13-20)24-15-19-11-7-8-14-21(19)22(16-24)18-9-3-1-4-10-18/h1-14,22H,15-17H2/t22-/m0/s1
InChIKeyUVSSZHRJXSQAMP-QFIPXVFZSA-N
MW343.43 g/mol
LogP4.24
Rot. Bonds4

About 2-phenoxy-1-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

2-phenoxy-1-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone (PubChem CID 37111198) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-phenoxy-1-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone.

Molecular Properties

Compound Name2-phenoxy-1-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
PubChem CID37111198
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name2-phenoxy-1-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
SMILESO=C(COc1ccccc1)N1Cc2ccccc2[C@H](c2ccccc2)C1
InChIInChI=1S/C23H21NO2/c25-23(17-26-20-12-5-2-6-13-20)24-15-19-11-7-8-14-21(19)22(16-24)18-9-3-1-4-10-18/h1-14,22H,15-17H2/t22-/m0/s1
InChIKeyUVSSZHRJXSQAMP-QFIPXVFZSA-N
XLogP4.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 96582197
1-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one
CID 155141140
2-chloro-1-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 71758717
1-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(4-phenylphenoxy)ethanone
CID 121198404
2-(4-methylphenoxy)-1-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 121198470
1-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 121198347
2-chloro-1-[(4S)-4-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 154727161
2-[2-[(2-phenoxyacetyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 120534066
2-[[2-oxo-2-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethoxy]methyl]-3H-quinazolin-4-one
CID 135939388
3-cyclopentylsulfonyl-1-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 56829348
2-(4-ethylsulfonylpiperazin-1-yl)-1-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 86874149
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
The IUPAC name of 2-phenoxy-1-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone (CID 37111198) is 2-phenoxy-1-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone.
What is the SMILES notation for 2-phenoxy-1-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
The canonical SMILES for 2-phenoxy-1-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone is O=C(COc1ccccc1)N1Cc2ccccc2[C@H](c2ccccc2)C1.
What is the InChIKey of 2-phenoxy-1-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
The InChIKey is UVSSZHRJXSQAMP-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H21NO2/c25-23(17-26-20-12-5-2-6-13-20)24-15-19-11-7-8-14-21(19)22(16-24)18-9-3-1-4-10-18/h1-14,22H,15-17H2/t22-/m0/s1.
What are the key properties of 2-phenoxy-1-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
2-phenoxy-1-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone has a molecular weight of 343.43 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone is sourced from PubChem (CID 37111198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).