2,3-dihydroindol-1-yl-(3-phenylmethoxyphenyl)methanone

C22H19NO2 — CID 8778658

IUPAC2,3-dihydroindol-1-yl-(3-phenylmethoxyphenyl)methanone
SMILESO=C(c1cccc(OCc2ccccc2)c1)N1CCc2ccccc21
InChIInChI=1S/C22H19NO2/c24-22(23-14-13-18-9-4-5-12-21(18)23)19-10-6-11-20(15-19)25-16-17-7-2-1-3-8-17/h1-12,15H,13-14,16H2
InChIKeyGMPVBWQGEOTZIK-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.47
Rot. Bonds4

About 2,3-dihydroindol-1-yl-(3-phenylmethoxyphenyl)methanone

2,3-dihydroindol-1-yl-(3-phenylmethoxyphenyl)methanone (PubChem CID 8778658) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(3-phenylmethoxyphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(3-phenylmethoxyphenyl)methanone
PubChem CID8778658
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name2,3-dihydroindol-1-yl-(3-phenylmethoxyphenyl)methanone
SMILESO=C(c1cccc(OCc2ccccc2)c1)N1CCc2ccccc21
InChIInChI=1S/C22H19NO2/c24-22(23-14-13-18-9-4-5-12-21(18)23)19-10-6-11-20(15-19)25-16-17-7-2-1-3-8-17/h1-12,15H,13-14,16H2
InChIKeyGMPVBWQGEOTZIK-UHFFFAOYSA-N
XLogP4.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydroindole-1-carbonyl)benzoic acid
CID 43452867
2,3-dihydroindol-1-yl-(2-phenylmethoxyphenyl)methanone
CID 4946349
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
2,3-dihydroindol-1-yl-[5-(phenoxymethyl)furan-2-yl]methanone
CID 17409583
2,3-dihydroindol-1-yl-(3,5-dimethoxyphenyl)methanone
CID 687165
N,N-diethyl-1-[3-(pyridin-3-ylmethoxy)benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 55772271
3-(2,3-dihydroindole-1-carbonyl)benzaldehyde
CID 90104032
2,3-dihydroindol-1-yl-[4-[[3-(hydroxymethyl)phenyl]methoxy]-2-(methylideneamino)phenyl]methanone
CID 70863755
(3,3-dimethylazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone
CID 155462351
(3,3-difluoroazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone
CID 155462347
[4-(2-hydroxyethyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 71944477
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 9415526

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(3-phenylmethoxyphenyl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(3-phenylmethoxyphenyl)methanone (CID 8778658) is 2,3-dihydroindol-1-yl-(3-phenylmethoxyphenyl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(3-phenylmethoxyphenyl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(3-phenylmethoxyphenyl)methanone is O=C(c1cccc(OCc2ccccc2)c1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-(3-phenylmethoxyphenyl)methanone?
The InChIKey is GMPVBWQGEOTZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c24-22(23-14-13-18-9-4-5-12-21(18)23)19-10-6-11-20(15-19)25-16-17-7-2-1-3-8-17/h1-12,15H,13-14,16H2.
What are the key properties of 2,3-dihydroindol-1-yl-(3-phenylmethoxyphenyl)methanone?
2,3-dihydroindol-1-yl-(3-phenylmethoxyphenyl)methanone has a molecular weight of 329.40 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-(3-phenylmethoxyphenyl)methanone is sourced from PubChem (CID 8778658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).