1-(2,5-dimethylphenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanol

C18H20FNO — CID 103714513

IUPAC1-(2,5-dimethylphenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanol
SMILESCc1ccc(C)c(C(O)CN2CCc3ccc(F)cc32)c1
InChIInChI=1S/C18H20FNO/c1-12-3-4-13(2)16(9-12)18(21)11-20-8-7-14-5-6-15(19)10-17(14)20/h3-6,9-10,18,21H,7-8,11H2,1-2H3
InChIKeyYCTLJODYMJQEIT-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.54
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanol

1-(2,5-dimethylphenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanol (PubChem CID 103714513) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanol
PubChem CID103714513
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name1-(2,5-dimethylphenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanol
SMILESCc1ccc(C)c(C(O)CN2CCc3ccc(F)cc32)c1
InChIInChI=1S/C18H20FNO/c1-12-3-4-13(2)16(9-12)18(21)11-20-8-7-14-5-6-15(19)10-17(14)20/h3-6,9-10,18,21H,7-8,11H2,1-2H3
InChIKeyYCTLJODYMJQEIT-UHFFFAOYSA-N
XLogP3.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanol?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanol (CID 103714513) is 1-(2,5-dimethylphenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanol?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanol is Cc1ccc(C)c(C(O)CN2CCc3ccc(F)cc32)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanol?
The InChIKey is YCTLJODYMJQEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-12-3-4-13(2)16(9-12)18(21)11-20-8-7-14-5-6-15(19)10-17(14)20/h3-6,9-10,18,21H,7-8,11H2,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanol?
1-(2,5-dimethylphenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanol has a molecular weight of 285.36 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanol is sourced from PubChem (CID 103714513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).