(3R)-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1-(3-phenylpropyl)indol-2-one

C31H27NO3 — CID 40875161

IUPAC(3R)-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1-(3-phenylpropyl)indol-2-one
SMILESO=C(C[C@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C31H27NO3/c33-29(26-19-17-25(18-20-26)24-13-5-2-6-14-24)22-31(35)27-15-7-8-16-28(27)32(30(31)34)21-9-12-23-10-3-1-4-11-23/h1-8,10-11,13-20,35H,9,12,21-22H2/t31-/m1/s1
InChIKeyLDQPFTDEFXONRG-WJOKGBTCSA-N
MW461.56 g/mol
LogP5.79
Rot. Bonds8

About (3R)-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1-(3-phenylpropyl)indol-2-one

(3R)-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1-(3-phenylpropyl)indol-2-one (PubChem CID 40875161) has the molecular formula C31H27NO3 and a molecular weight of 461.56 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1-(3-phenylpropyl)indol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1-(3-phenylpropyl)indol-2-one
PubChem CID40875161
Molecular FormulaC31H27NO3
Molecular Weight461.56 g/mol
Exact Mass461.20
IUPAC Name(3R)-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1-(3-phenylpropyl)indol-2-one
SMILESO=C(C[C@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C31H27NO3/c33-29(26-19-17-25(18-20-26)24-13-5-2-6-14-24)22-31(35)27-15-7-8-16-28(27)32(30(31)34)21-9-12-23-10-3-1-4-11-23/h1-8,10-11,13-20,35H,9,12,21-22H2/t31-/m1/s1
InChIKeyLDQPFTDEFXONRG-WJOKGBTCSA-N
XLogP5.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.56
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1-(2-phenylethyl)indol-2-one
CID 2908541
3-hydroxy-3-phenacyl-1-(3-phenylpropyl)indol-2-one
CID 3692201
(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(3-phenylpropyl)indol-2-one
CID 41339060
3-hydroxy-3-[2-oxo-2-(4-pentylphenyl)ethyl]-1-(2-phenylethyl)indol-2-one
CID 163207336
(3R)-3-hydroxy-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-(3-phenylpropyl)indol-2-one
CID 41339128
3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 2909994
3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(3-phenylpropyl)indol-2-one
CID 2938372
(3R)-1-ethyl-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]indol-2-one
CID 1162510
(3S)-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(3-phenylpropyl)indol-2-one
CID 7281333
1-benzyl-3-[2-(4-butylphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 175205314
3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 2910365
(3S)-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 1162536

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1-(3-phenylpropyl)indol-2-one?
The IUPAC name of (3R)-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1-(3-phenylpropyl)indol-2-one (CID 40875161) is (3R)-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1-(3-phenylpropyl)indol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1-(3-phenylpropyl)indol-2-one?
The canonical SMILES for (3R)-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1-(3-phenylpropyl)indol-2-one is O=C(C[C@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (3R)-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1-(3-phenylpropyl)indol-2-one?
The InChIKey is LDQPFTDEFXONRG-WJOKGBTCSA-N. The full InChI is InChI=1S/C31H27NO3/c33-29(26-19-17-25(18-20-26)24-13-5-2-6-14-24)22-31(35)27-15-7-8-16-28(27)32(30(31)34)21-9-12-23-10-3-1-4-11-23/h1-8,10-11,13-20,35H,9,12,21-22H2/t31-/m1/s1.
What are the key properties of (3R)-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1-(3-phenylpropyl)indol-2-one?
(3R)-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1-(3-phenylpropyl)indol-2-one has a molecular weight of 461.56 g/mol, XLogP of 5.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1-(3-phenylpropyl)indol-2-one is sourced from PubChem (CID 40875161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).