(2S,3S)-3-(3-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propane-1,2-diol

C18H20FNO2 — CID 45142230

IUPAC(2S,3S)-3-(3-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propane-1,2-diol
SMILESCC1Cc2ccccc2N1[C@@H](c1cccc(F)c1)[C@H](O)CO
InChIInChI=1S/C18H20FNO2/c1-12-9-13-5-2-3-8-16(13)20(12)18(17(22)11-21)14-6-4-7-15(19)10-14/h2-8,10,12,17-18,21-22H,9,11H2,1H3/t12?,17-,18+/m1/s1
InChIKeySNZHTAMXIDXEGK-ALTJMEPPSA-N
MW301.36 g/mol
LogP2.67
Rot. Bonds4

About (2S,3S)-3-(3-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propane-1,2-diol

(2S,3S)-3-(3-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propane-1,2-diol (PubChem CID 45142230) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is (2S,3S)-3-(3-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name(2S,3S)-3-(3-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propane-1,2-diol
PubChem CID45142230
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name(2S,3S)-3-(3-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propane-1,2-diol
SMILESCC1Cc2ccccc2N1[C@@H](c1cccc(F)c1)[C@H](O)CO
InChIInChI=1S/C18H20FNO2/c1-12-9-13-5-2-3-8-16(13)20(12)18(17(22)11-21)14-6-4-7-15(19)10-14/h2-8,10,12,17-18,21-22H,9,11H2,1H3/t12?,17-,18+/m1/s1
InChIKeySNZHTAMXIDXEGK-ALTJMEPPSA-N
XLogP2.67
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(3-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propane-1,2-diol?
The IUPAC name of (2S,3S)-3-(3-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propane-1,2-diol (CID 45142230) is (2S,3S)-3-(3-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propane-1,2-diol.
What is the SMILES notation for (2S,3S)-3-(3-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propane-1,2-diol?
The canonical SMILES for (2S,3S)-3-(3-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propane-1,2-diol is CC1Cc2ccccc2N1[C@@H](c1cccc(F)c1)[C@H](O)CO.
What is the InChIKey of (2S,3S)-3-(3-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propane-1,2-diol?
The InChIKey is SNZHTAMXIDXEGK-ALTJMEPPSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-12-9-13-5-2-3-8-16(13)20(12)18(17(22)11-21)14-6-4-7-15(19)10-14/h2-8,10,12,17-18,21-22H,9,11H2,1H3/t12?,17-,18+/m1/s1.
What are the key properties of (2S,3S)-3-(3-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propane-1,2-diol?
(2S,3S)-3-(3-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propane-1,2-diol has a molecular weight of 301.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(3-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propane-1,2-diol is sourced from PubChem (CID 45142230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).