(3S)-3-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one

C22H23NO3 — CID 7012905

IUPAC(3S)-3-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
SMILESO=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C22H23NO3/c24-20(14-22(26)18-8-4-5-9-19(18)23-21(22)25)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h4-5,8-13,15,26H,1-3,6-7,14H2,(H,23,25)/t22-/m0/s1
InChIKeyHNQXMVIOIUZZEU-QFIPXVFZSA-N
MW349.43 g/mol
LogP4.15
Rot. Bonds4

About (3S)-3-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one

(3S)-3-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one (PubChem CID 7012905) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is (3S)-3-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
PubChem CID7012905
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name(3S)-3-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
SMILESO=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C22H23NO3/c24-20(14-22(26)18-8-4-5-9-19(18)23-21(22)25)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h4-5,8-13,15,26H,1-3,6-7,14H2,(H,23,25)/t22-/m0/s1
InChIKeyHNQXMVIOIUZZEU-QFIPXVFZSA-N
XLogP4.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
The IUPAC name of (3S)-3-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one (CID 7012905) is (3S)-3-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for (3S)-3-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
The canonical SMILES for (3S)-3-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one is O=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of (3S)-3-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
The InChIKey is HNQXMVIOIUZZEU-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H23NO3/c24-20(14-22(26)18-8-4-5-9-19(18)23-21(22)25)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h4-5,8-13,15,26H,1-3,6-7,14H2,(H,23,25)/t22-/m0/s1.
What are the key properties of (3S)-3-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
(3S)-3-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one has a molecular weight of 349.43 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 7012905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).