(1S,3R)-3-(4-fluorophenyl)-5-methyl-2,3-dihydro-1H-inden-1-ol

C16H15FO — CID 129390819

IUPAC(1S,3R)-3-(4-fluorophenyl)-5-methyl-2,3-dihydro-1H-inden-1-ol
SMILESCc1ccc2c(c1)[C@@H](c1ccc(F)cc1)C[C@@H]2O
InChIInChI=1S/C16H15FO/c1-10-2-7-13-15(8-10)14(9-16(13)18)11-3-5-12(17)6-4-11/h2-8,14,16,18H,9H2,1H3/t14-,16+/m1/s1
InChIKeyIORSZPSGJDYADW-ZBFHGGJFSA-N
MW242.29 g/mol
LogP3.70
Rot. Bonds1

About (1S,3R)-3-(4-fluorophenyl)-5-methyl-2,3-dihydro-1H-inden-1-ol

(1S,3R)-3-(4-fluorophenyl)-5-methyl-2,3-dihydro-1H-inden-1-ol (PubChem CID 129390819) has the molecular formula C16H15FO and a molecular weight of 242.29 g/mol. Its IUPAC name is (1S,3R)-3-(4-fluorophenyl)-5-methyl-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S,3R)-3-(4-fluorophenyl)-5-methyl-2,3-dihydro-1H-inden-1-ol
PubChem CID129390819
Molecular FormulaC16H15FO
Molecular Weight242.29 g/mol
Exact Mass242.11
IUPAC Name(1S,3R)-3-(4-fluorophenyl)-5-methyl-2,3-dihydro-1H-inden-1-ol
SMILESCc1ccc2c(c1)[C@@H](c1ccc(F)cc1)C[C@@H]2O
InChIInChI=1S/C16H15FO/c1-10-2-7-13-15(8-10)14(9-16(13)18)11-3-5-12(17)6-4-11/h2-8,14,16,18H,9H2,1H3/t14-,16+/m1/s1
InChIKeyIORSZPSGJDYADW-ZBFHGGJFSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,3S)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 131848103
3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol
CID 3020939
(1R,3R)-6-bromo-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol
CID 129383415
4-[(1S,3R)-3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine
CID 18665064
3-amino-6-methyl-2,3-dihydro-1H-inden-1-ol
CID 82157980
1-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-isoindole
CID 84735923
(4S)-2-(4-chloro-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950609
(4R)-2-(4-chloro-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950383
(4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950561
3-hydroxy-5-methyl-2,3-dihydro-1H-indene-1-carboxylic acid
CID 82125637
5-chloro-3-phenyl-2,3-dihydro-1H-inden-1-ol
CID 19037265
7-fluoro-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715884

Frequently Asked Questions

What is the IUPAC name of (1S,3R)-3-(4-fluorophenyl)-5-methyl-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S,3R)-3-(4-fluorophenyl)-5-methyl-2,3-dihydro-1H-inden-1-ol (CID 129390819) is (1S,3R)-3-(4-fluorophenyl)-5-methyl-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S,3R)-3-(4-fluorophenyl)-5-methyl-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S,3R)-3-(4-fluorophenyl)-5-methyl-2,3-dihydro-1H-inden-1-ol is Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)C[C@@H]2O.
What is the InChIKey of (1S,3R)-3-(4-fluorophenyl)-5-methyl-2,3-dihydro-1H-inden-1-ol?
The InChIKey is IORSZPSGJDYADW-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H15FO/c1-10-2-7-13-15(8-10)14(9-16(13)18)11-3-5-12(17)6-4-11/h2-8,14,16,18H,9H2,1H3/t14-,16+/m1/s1.
What are the key properties of (1S,3R)-3-(4-fluorophenyl)-5-methyl-2,3-dihydro-1H-inden-1-ol?
(1S,3R)-3-(4-fluorophenyl)-5-methyl-2,3-dihydro-1H-inden-1-ol has a molecular weight of 242.29 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-3-(4-fluorophenyl)-5-methyl-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 129390819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).