3-hydroxy-3-phenacyl-1-(3-phenylpropyl)indol-2-one

C25H23NO3 — CID 3692201

IUPAC3-hydroxy-3-phenacyl-1-(3-phenylpropyl)indol-2-one
SMILESO=C(CC1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccccc1
InChIInChI=1S/C25H23NO3/c27-23(20-13-5-2-6-14-20)18-25(29)21-15-7-8-16-22(21)26(24(25)28)17-9-12-19-10-3-1-4-11-19/h1-8,10-11,13-16,29H,9,12,17-18H2
InChIKeySFQHRTFWHAEFPV-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.13
Rot. Bonds7

About 3-hydroxy-3-phenacyl-1-(3-phenylpropyl)indol-2-one

3-hydroxy-3-phenacyl-1-(3-phenylpropyl)indol-2-one (PubChem CID 3692201) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is 3-hydroxy-3-phenacyl-1-(3-phenylpropyl)indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-phenacyl-1-(3-phenylpropyl)indol-2-one
PubChem CID3692201
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name3-hydroxy-3-phenacyl-1-(3-phenylpropyl)indol-2-one
SMILESO=C(CC1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccccc1
InChIInChI=1S/C25H23NO3/c27-23(20-13-5-2-6-14-20)18-25(29)21-15-7-8-16-22(21)26(24(25)28)17-9-12-19-10-3-1-4-11-19/h1-8,10-11,13-16,29H,9,12,17-18H2
InChIKeySFQHRTFWHAEFPV-UHFFFAOYSA-N
XLogP4.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1-(3-phenylpropyl)indol-2-one
CID 40875161
(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(3-phenylpropyl)indol-2-one
CID 41339060
3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(3-phenylpropyl)indol-2-one
CID 2938372
3-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethyl]-1-(3-phenylpropyl)indol-2-one
CID 3819208
3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1-(2-phenylethyl)indol-2-one
CID 2908541
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
(3R)-1-benzyl-3-hydroxy-3-phenacylindol-2-one
CID 7014468
(3S)-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(3-phenylpropyl)indol-2-one
CID 7281333
(3S)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-1-(3-phenylpropyl)indol-2-one
CID 40875194
1-benzyl-3-[2-(4-butylphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 175205314

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-phenacyl-1-(3-phenylpropyl)indol-2-one?
The IUPAC name of 3-hydroxy-3-phenacyl-1-(3-phenylpropyl)indol-2-one (CID 3692201) is 3-hydroxy-3-phenacyl-1-(3-phenylpropyl)indol-2-one.
What is the SMILES notation for 3-hydroxy-3-phenacyl-1-(3-phenylpropyl)indol-2-one?
The canonical SMILES for 3-hydroxy-3-phenacyl-1-(3-phenylpropyl)indol-2-one is O=C(CC1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccccc1.
What is the InChIKey of 3-hydroxy-3-phenacyl-1-(3-phenylpropyl)indol-2-one?
The InChIKey is SFQHRTFWHAEFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c27-23(20-13-5-2-6-14-20)18-25(29)21-15-7-8-16-22(21)26(24(25)28)17-9-12-19-10-3-1-4-11-19/h1-8,10-11,13-16,29H,9,12,17-18H2.
What are the key properties of 3-hydroxy-3-phenacyl-1-(3-phenylpropyl)indol-2-one?
3-hydroxy-3-phenacyl-1-(3-phenylpropyl)indol-2-one has a molecular weight of 385.46 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-phenacyl-1-(3-phenylpropyl)indol-2-one is sourced from PubChem (CID 3692201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).