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

C18H19NO2 — CID 26367125

IUPAC(3S)-3-[(4-propan-2-yloxyphenyl)methyl]-1,3-dihydroindol-2-one
SMILESCC(C)Oc1ccc(C[C@@H]2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C18H19NO2/c1-12(2)21-14-9-7-13(8-10-14)11-16-15-5-3-4-6-17(15)19-18(16)20/h3-10,12,16H,11H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyHXWWYKNXRFHIFT-INIZCTEOSA-N
MW281.36 g/mol
LogP3.75
Rot. Bonds4

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

(3S)-3-[(4-propan-2-yloxyphenyl)methyl]-1,3-dihydroindol-2-one (PubChem CID 26367125) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (3S)-3-[(4-propan-2-yloxyphenyl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3S)-3-[(4-propan-2-yloxyphenyl)methyl]-1,3-dihydroindol-2-one
PubChem CID26367125
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(3S)-3-[(4-propan-2-yloxyphenyl)methyl]-1,3-dihydroindol-2-one
SMILESCC(C)Oc1ccc(C[C@@H]2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C18H19NO2/c1-12(2)21-14-9-7-13(8-10-14)11-16-15-5-3-4-6-17(15)19-18(16)20/h3-10,12,16H,11H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyHXWWYKNXRFHIFT-INIZCTEOSA-N
XLogP3.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4-propan-2-yloxyphenyl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of (3S)-3-[(4-propan-2-yloxyphenyl)methyl]-1,3-dihydroindol-2-one (CID 26367125) is (3S)-3-[(4-propan-2-yloxyphenyl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for (3S)-3-[(4-propan-2-yloxyphenyl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for (3S)-3-[(4-propan-2-yloxyphenyl)methyl]-1,3-dihydroindol-2-one is CC(C)Oc1ccc(C[C@@H]2C(=O)Nc3ccccc32)cc1.
What is the InChIKey of (3S)-3-[(4-propan-2-yloxyphenyl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is HXWWYKNXRFHIFT-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19NO2/c1-12(2)21-14-9-7-13(8-10-14)11-16-15-5-3-4-6-17(15)19-18(16)20/h3-10,12,16H,11H2,1-2H3,(H,19,20)/t16-/m0/s1.
What are the key properties of (3S)-3-[(4-propan-2-yloxyphenyl)methyl]-1,3-dihydroindol-2-one?
(3S)-3-[(4-propan-2-yloxyphenyl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 281.36 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4-propan-2-yloxyphenyl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 26367125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).