(2S)-2-(4-tert-butylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one

C21H25NO2 — CID 26075972

IUPAC(2S)-2-(4-tert-butylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C21H25NO2/c1-15(24-18-11-9-17(10-12-18)21(2,3)4)20(23)22-14-13-16-7-5-6-8-19(16)22/h5-12,15H,13-14H2,1-4H3/t15-/m0/s1
InChIKeyGPAQXEJCOUSFSK-HNNXBMFYSA-N
MW323.44 g/mol
LogP4.34
Rot. Bonds3

About (2S)-2-(4-tert-butylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one

(2S)-2-(4-tert-butylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 26075972) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (2S)-2-(4-tert-butylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-(4-tert-butylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
PubChem CID26075972
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name(2S)-2-(4-tert-butylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C21H25NO2/c1-15(24-18-11-9-17(10-12-18)21(2,3)4)20(23)22-14-13-16-7-5-6-8-19(16)22/h5-12,15H,13-14H2,1-4H3/t15-/m0/s1
InChIKeyGPAQXEJCOUSFSK-HNNXBMFYSA-N
XLogP4.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-acetylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7763850
2-(4-benzoylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 4878962
1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one
CID 2904377
4-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxybenzonitrile
CID 16540669
(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-propanoylphenoxy)propan-1-one
CID 8604781
1-(2,3-dihydroindol-1-yl)-2-(3,4-dimethylphenoxy)propan-1-one
CID 132650039
(2R)-2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 7376112
(2S)-2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 7376111
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 4943179
(2R)-2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7425461
N-[4-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide
CID 133261924
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-tert-butylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of (2S)-2-(4-tert-butylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one (CID 26075972) is (2S)-2-(4-tert-butylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for (2S)-2-(4-tert-butylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for (2S)-2-(4-tert-butylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one is C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCc2ccccc21.
What is the InChIKey of (2S)-2-(4-tert-butylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is GPAQXEJCOUSFSK-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-15(24-18-11-9-17(10-12-18)21(2,3)4)20(23)22-14-13-16-7-5-6-8-19(16)22/h5-12,15H,13-14H2,1-4H3/t15-/m0/s1.
What are the key properties of (2S)-2-(4-tert-butylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one?
(2S)-2-(4-tert-butylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 323.44 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-tert-butylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 26075972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).