(1R)-1-[3-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol

C17H18BrNO — CID 63541257

IUPAC(1R)-1-[3-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol
SMILESCC1Cc2ccccc2N1c1ccc([C@@H](C)O)cc1Br
InChIInChI=1S/C17H18BrNO/c1-11-9-14-5-3-4-6-16(14)19(11)17-8-7-13(12(2)20)10-15(17)18/h3-8,10-12,20H,9H2,1-2H3/t11?,12-/m1/s1
InChIKeyMWAKRIRCSPUOLT-PIJUOVFKSA-N
MW332.24 g/mol
LogP4.59
Rot. Bonds2

About (1R)-1-[3-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol

(1R)-1-[3-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol (PubChem CID 63541257) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is (1R)-1-[3-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol
PubChem CID63541257
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name(1R)-1-[3-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol
SMILESCC1Cc2ccccc2N1c1ccc([C@@H](C)O)cc1Br
InChIInChI=1S/C17H18BrNO/c1-11-9-14-5-3-4-6-16(14)19(11)17-8-7-13(12(2)20)10-15(17)18/h3-8,10-12,20H,9H2,1-2H3/t11?,12-/m1/s1
InChIKeyMWAKRIRCSPUOLT-PIJUOVFKSA-N
XLogP4.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol
CID 43510148
(1S)-1-[2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol
CID 78939271
(1S)-1-[3-bromo-4-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 78939151
(1S)-1-[3-bromo-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanol
CID 78940984
(1S)-1-[3-bromo-4-(3-methylthiomorpholin-4-yl)phenyl]ethanol
CID 78956466
1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol
CID 117203210
1-[3-bromo-4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol
CID 55130530
(1S)-1-[2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]propan-1-ol
CID 103959670
1-[3-bromo-4-(3,4-dimethylpiperazin-1-yl)phenyl]ethanol
CID 63609764
(1R)-1-[3-bromo-4-(4-methyl-1,4-diazepan-1-yl)phenyl]ethanol
CID 63370615
1-[3-bromo-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol
CID 62909726
(1R)-1-[3-bromo-4-(3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol
CID 104921365

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol?
The IUPAC name of (1R)-1-[3-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol (CID 63541257) is (1R)-1-[3-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol is CC1Cc2ccccc2N1c1ccc([C@@H](C)O)cc1Br.
What is the InChIKey of (1R)-1-[3-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol?
The InChIKey is MWAKRIRCSPUOLT-PIJUOVFKSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-11-9-14-5-3-4-6-16(14)19(11)17-8-7-13(12(2)20)10-15(17)18/h3-8,10-12,20H,9H2,1-2H3/t11?,12-/m1/s1.
What are the key properties of (1R)-1-[3-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol?
(1R)-1-[3-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol has a molecular weight of 332.24 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol is sourced from PubChem (CID 63541257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).