(3R)-1-benzyl-3-hydroxy-3-phenacylindol-2-one

C23H19NO3 — CID 7014468

IUPAC(3R)-1-benzyl-3-hydroxy-3-phenacylindol-2-one
SMILESO=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21)c1ccccc1
InChIInChI=1S/C23H19NO3/c25-21(18-11-5-2-6-12-18)15-23(27)19-13-7-8-14-20(19)24(22(23)26)16-17-9-3-1-4-10-17/h1-14,27H,15-16H2/t23-/m1/s1
InChIKeyKDOCGLVSFNLWAK-HSZRJFAPSA-N
MW357.41 g/mol
LogP3.69
Rot. Bonds5

About (3R)-1-benzyl-3-hydroxy-3-phenacylindol-2-one

(3R)-1-benzyl-3-hydroxy-3-phenacylindol-2-one (PubChem CID 7014468) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is (3R)-1-benzyl-3-hydroxy-3-phenacylindol-2-one.

Molecular Properties

Compound Name(3R)-1-benzyl-3-hydroxy-3-phenacylindol-2-one
PubChem CID7014468
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name(3R)-1-benzyl-3-hydroxy-3-phenacylindol-2-one
SMILESO=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21)c1ccccc1
InChIInChI=1S/C23H19NO3/c25-21(18-11-5-2-6-12-18)15-23(27)19-13-7-8-14-20(19)24(22(23)26)16-17-9-3-1-4-10-17/h1-14,27H,15-16H2/t23-/m1/s1
InChIKeyKDOCGLVSFNLWAK-HSZRJFAPSA-N
XLogP3.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-benzyl-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 7357344
(3S)-1-benzyl-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 7357342
1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenacylindol-2-one
CID 3708418
3-hydroxy-1-[(3-methylphenyl)methyl]-3-phenacylindol-2-one
CID 3598775
1-benzyl-3-[2-(4-butylphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 175205314
(3S)-1-benzyl-3-hydroxy-3-[2-oxo-2-(3-pyrrol-1-ylphenyl)ethyl]indol-2-one
CID 2210775
3-hydroxy-3-phenacyl-1-(3-phenylpropyl)indol-2-one
CID 3692201
1-[(3-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]indol-2-one
CID 66523103
(3S)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one
CID 2056687
1-benzyl-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 2956599
(3R)-1-[(4-bromophenyl)methyl]-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 1425799
(3R)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one
CID 7270821

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-hydroxy-3-phenacylindol-2-one?
The IUPAC name of (3R)-1-benzyl-3-hydroxy-3-phenacylindol-2-one (CID 7014468) is (3R)-1-benzyl-3-hydroxy-3-phenacylindol-2-one.
What is the SMILES notation for (3R)-1-benzyl-3-hydroxy-3-phenacylindol-2-one?
The canonical SMILES for (3R)-1-benzyl-3-hydroxy-3-phenacylindol-2-one is O=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21)c1ccccc1.
What is the InChIKey of (3R)-1-benzyl-3-hydroxy-3-phenacylindol-2-one?
The InChIKey is KDOCGLVSFNLWAK-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H19NO3/c25-21(18-11-5-2-6-12-18)15-23(27)19-13-7-8-14-20(19)24(22(23)26)16-17-9-3-1-4-10-17/h1-14,27H,15-16H2/t23-/m1/s1.
What are the key properties of (3R)-1-benzyl-3-hydroxy-3-phenacylindol-2-one?
(3R)-1-benzyl-3-hydroxy-3-phenacylindol-2-one has a molecular weight of 357.41 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-hydroxy-3-phenacylindol-2-one is sourced from PubChem (CID 7014468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).