2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-methylsulfonylphenyl)ethanol

C18H21NO3S — CID 110897176

IUPAC2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-methylsulfonylphenyl)ethanol
SMILESCC1Cc2ccccc2N1CC(O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H21NO3S/c1-13-11-15-5-3-4-6-17(15)19(13)12-18(20)14-7-9-16(10-8-14)23(2,21)22/h3-10,13,18,20H,11-12H2,1-2H3
InChIKeyYRNXBJJXCGSHGL-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.57
Rot. Bonds4

About 2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-methylsulfonylphenyl)ethanol

2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-methylsulfonylphenyl)ethanol (PubChem CID 110897176) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-methylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-methylsulfonylphenyl)ethanol
PubChem CID110897176
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-methylsulfonylphenyl)ethanol
SMILESCC1Cc2ccccc2N1CC(O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H21NO3S/c1-13-11-15-5-3-4-6-17(15)19(13)12-18(20)14-7-9-16(10-8-14)23(2,21)22/h3-10,13,18,20H,11-12H2,1-2H3
InChIKeyYRNXBJJXCGSHGL-UHFFFAOYSA-N
XLogP2.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-difluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanol
CID 82217088
1-(4-fluoro-3-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanol
CID 82216735
1-(2-methyl-2,3-dihydroindol-1-yl)pentan-2-ol
CID 62044766
(1R)-2-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(4-methylsulfonylphenyl)ethanol
CID 94178969
1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-methyl-2,3-dihydroindole
CID 112803274
2-methyl-3-(2-methyl-2,3-dihydroindol-1-yl)propan-1-amine
CID 43367603
2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-2-ol
CID 54242402
2-[4-(2-methylpropyl)piperazin-1-yl]-1-(4-methylsulfonylphenyl)ethanol
CID 110897310
N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]methanesulfonamide
CID 94200081
2-ethoxy-3-(2-methyl-2,3-dihydroindol-1-yl)propanoic acid
CID 63067031
2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22200023
2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylphenyl)ethanol
CID 63473067

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-methylsulfonylphenyl)ethanol?
The IUPAC name of 2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-methylsulfonylphenyl)ethanol (CID 110897176) is 2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-methylsulfonylphenyl)ethanol.
What is the SMILES notation for 2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-methylsulfonylphenyl)ethanol?
The canonical SMILES for 2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-methylsulfonylphenyl)ethanol is CC1Cc2ccccc2N1CC(O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-methylsulfonylphenyl)ethanol?
The InChIKey is YRNXBJJXCGSHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-13-11-15-5-3-4-6-17(15)19(13)12-18(20)14-7-9-16(10-8-14)23(2,21)22/h3-10,13,18,20H,11-12H2,1-2H3.
What are the key properties of 2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-methylsulfonylphenyl)ethanol?
2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-methylsulfonylphenyl)ethanol has a molecular weight of 331.44 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-methylsulfonylphenyl)ethanol is sourced from PubChem (CID 110897176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).