(3S)-3-hydroxy-3-phenacyl-1-[(Z)-3-phenylprop-2-enyl]indol-2-one

C25H21NO3 — CID 98392744

IUPAC(3S)-3-hydroxy-3-phenacyl-1-[(Z)-3-phenylprop-2-enyl]indol-2-one
SMILESO=C(C[C@@]1(O)C(=O)N(C/C=C\c2ccccc2)c2ccccc21)c1ccccc1
InChIInChI=1S/C25H21NO3/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/h1-16,29H,17-18H2/b12-9-/t25-/m0/s1
InChIKeyJWTQLRCRPHDYHV-VDUBTBKOSA-N
MW383.45 g/mol
LogP4.21
Rot. Bonds6

About (3S)-3-hydroxy-3-phenacyl-1-[(Z)-3-phenylprop-2-enyl]indol-2-one

(3S)-3-hydroxy-3-phenacyl-1-[(Z)-3-phenylprop-2-enyl]indol-2-one (PubChem CID 98392744) has the molecular formula C25H21NO3 and a molecular weight of 383.45 g/mol. Its IUPAC name is (3S)-3-hydroxy-3-phenacyl-1-[(Z)-3-phenylprop-2-enyl]indol-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-3-phenacyl-1-[(Z)-3-phenylprop-2-enyl]indol-2-one
PubChem CID98392744
Molecular FormulaC25H21NO3
Molecular Weight383.45 g/mol
Exact Mass383.15
IUPAC Name(3S)-3-hydroxy-3-phenacyl-1-[(Z)-3-phenylprop-2-enyl]indol-2-one
SMILESO=C(C[C@@]1(O)C(=O)N(C/C=C\c2ccccc2)c2ccccc21)c1ccccc1
InChIInChI=1S/C25H21NO3/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/h1-16,29H,17-18H2/b12-9-/t25-/m0/s1
InChIKeyJWTQLRCRPHDYHV-VDUBTBKOSA-N
XLogP4.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-[(E)-3-phenylprop-2-enyl]indol-2-one
CID 17131876
3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(E)-3-phenylprop-2-enyl]indol-2-one
CID 17131889
3-[2-(4-tert-butyl-2,6-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-[(E)-3-phenylprop-2-enyl]indol-2-one
CID 17131897
(3R)-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(E)-3-phenylprop-2-enyl]indol-2-one
CID 1249734
(3R)-1-benzyl-3-hydroxy-3-phenacylindol-2-one
CID 7014468
3-hydroxy-3-phenacyl-1-(3-phenylpropyl)indol-2-one
CID 3692201
3-hydroxy-1-[(3-methylphenyl)methyl]-3-phenacylindol-2-one
CID 3598775
(3R)-1-ethyl-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]indol-2-one
CID 1162510
3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one
CID 2924908
3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-prop-2-enylindol-2-one
CID 3150787
3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-phenacylindol-2-one
CID 5053139
3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-1-prop-2-enylindol-2-one
CID 2924926

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-3-phenacyl-1-[(Z)-3-phenylprop-2-enyl]indol-2-one?
The IUPAC name of (3S)-3-hydroxy-3-phenacyl-1-[(Z)-3-phenylprop-2-enyl]indol-2-one (CID 98392744) is (3S)-3-hydroxy-3-phenacyl-1-[(Z)-3-phenylprop-2-enyl]indol-2-one.
What is the SMILES notation for (3S)-3-hydroxy-3-phenacyl-1-[(Z)-3-phenylprop-2-enyl]indol-2-one?
The canonical SMILES for (3S)-3-hydroxy-3-phenacyl-1-[(Z)-3-phenylprop-2-enyl]indol-2-one is O=C(C[C@@]1(O)C(=O)N(C/C=C\c2ccccc2)c2ccccc21)c1ccccc1.
What is the InChIKey of (3S)-3-hydroxy-3-phenacyl-1-[(Z)-3-phenylprop-2-enyl]indol-2-one?
The InChIKey is JWTQLRCRPHDYHV-VDUBTBKOSA-N. The full InChI is InChI=1S/C25H21NO3/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/h1-16,29H,17-18H2/b12-9-/t25-/m0/s1.
What are the key properties of (3S)-3-hydroxy-3-phenacyl-1-[(Z)-3-phenylprop-2-enyl]indol-2-one?
(3S)-3-hydroxy-3-phenacyl-1-[(Z)-3-phenylprop-2-enyl]indol-2-one has a molecular weight of 383.45 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-3-phenacyl-1-[(Z)-3-phenylprop-2-enyl]indol-2-one is sourced from PubChem (CID 98392744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).