(3S)-3-[(4-ethoxyphenyl)methyl]-1,3-dihydroindol-2-one

C17H17NO2 — CID 26367123

IUPAC(3S)-3-[(4-ethoxyphenyl)methyl]-1,3-dihydroindol-2-one
SMILESCCOc1ccc(C[C@@H]2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H17NO2/c1-2-20-13-9-7-12(8-10-13)11-15-14-5-3-4-6-16(14)18-17(15)19/h3-10,15H,2,11H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyRFORNQXGROOKTO-HNNXBMFYSA-N
MW267.33 g/mol
LogP3.36
Rot. Bonds4

About (3S)-3-[(4-ethoxyphenyl)methyl]-1,3-dihydroindol-2-one

(3S)-3-[(4-ethoxyphenyl)methyl]-1,3-dihydroindol-2-one (PubChem CID 26367123) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (3S)-3-[(4-ethoxyphenyl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3S)-3-[(4-ethoxyphenyl)methyl]-1,3-dihydroindol-2-one
PubChem CID26367123
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(3S)-3-[(4-ethoxyphenyl)methyl]-1,3-dihydroindol-2-one
SMILESCCOc1ccc(C[C@@H]2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H17NO2/c1-2-20-13-9-7-12(8-10-13)11-15-14-5-3-4-6-16(14)18-17(15)19/h3-10,15H,2,11H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyRFORNQXGROOKTO-HNNXBMFYSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[(4-ethoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 51539527
(3S)-3-[(4-propan-2-yloxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 26367125
3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 43912552
3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindol-2-one
CID 23612653
7-methyl-3-[(4-propoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 43912377
(3S)-3-[(2-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 26367525
N-(4-ethoxyphenyl)-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 4104794
(5S)-5-[(4-ethoxyphenyl)methyl]-1-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione
CID 1256748
3-ethyl-4-[[4-[2-methoxy-4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one
CID 12002166
5-[(4-butoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 3125290
(3S)-3-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methyl]-1,3-dihydroindol-2-one
CID 98140033
3-ethyl-4-[[4-[2-fluoro-4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one
CID 12002163

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4-ethoxyphenyl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of (3S)-3-[(4-ethoxyphenyl)methyl]-1,3-dihydroindol-2-one (CID 26367123) is (3S)-3-[(4-ethoxyphenyl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for (3S)-3-[(4-ethoxyphenyl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for (3S)-3-[(4-ethoxyphenyl)methyl]-1,3-dihydroindol-2-one is CCOc1ccc(C[C@@H]2C(=O)Nc3ccccc32)cc1.
What is the InChIKey of (3S)-3-[(4-ethoxyphenyl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is RFORNQXGROOKTO-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-2-20-13-9-7-12(8-10-13)11-15-14-5-3-4-6-16(14)18-17(15)19/h3-10,15H,2,11H2,1H3,(H,18,19)/t15-/m0/s1.
What are the key properties of (3S)-3-[(4-ethoxyphenyl)methyl]-1,3-dihydroindol-2-one?
(3S)-3-[(4-ethoxyphenyl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 267.33 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4-ethoxyphenyl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 26367123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).