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

C18H20FNO — CID 82216735

IUPAC1-(4-fluoro-3-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanol
SMILESCc1cc(C(O)CN2c3ccccc3CC2C)ccc1F
InChIInChI=1S/C18H20FNO/c1-12-9-15(7-8-16(12)19)18(21)11-20-13(2)10-14-5-3-4-6-17(14)20/h3-9,13,18,21H,10-11H2,1-2H3
InChIKeyJACLIZKWOYDSKL-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.62
Rot. Bonds3

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

1-(4-fluoro-3-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanol (PubChem CID 82216735) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanol.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanol
PubChem CID82216735
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name1-(4-fluoro-3-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanol
SMILESCc1cc(C(O)CN2c3ccccc3CC2C)ccc1F
InChIInChI=1S/C18H20FNO/c1-12-9-15(7-8-16(12)19)18(21)11-20-13(2)10-14-5-3-4-6-17(14)20/h3-9,13,18,21H,10-11H2,1-2H3
InChIKeyJACLIZKWOYDSKL-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanol
CID 82217088
2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-methylsulfonylphenyl)ethanol
CID 110897176
1-(2-methyl-2,3-dihydroindol-1-yl)pentan-2-ol
CID 62044766
3-(2-methyl-2,3-dihydroindol-1-yl)-1-(2-methylphenyl)propan-1-ol
CID 62623099
4-fluoro-3-methyl-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzenesulfonamide
CID 133189855
2-methyl-3-(2-methyl-2,3-dihydroindol-1-yl)propan-1-amine
CID 43367603
3,3,3-trifluoro-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]propanethioamide
CID 103368487
2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-2-ol
CID 54242402
(1R)-2-chloro-1-(4-fluoro-3-methylphenyl)ethanol
CID 93182268
4-fluoro-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarbothioamide
CID 43096906
2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylphenyl)ethanol
CID 63473067
1-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole
CID 22199928

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanol?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanol (CID 82216735) is 1-(4-fluoro-3-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanol.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanol?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanol is Cc1cc(C(O)CN2c3ccccc3CC2C)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanol?
The InChIKey is JACLIZKWOYDSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-12-9-15(7-8-16(12)19)18(21)11-20-13(2)10-14-5-3-4-6-17(14)20/h3-9,13,18,21H,10-11H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanol?
1-(4-fluoro-3-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanol has a molecular weight of 285.36 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanol is sourced from PubChem (CID 82216735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).