1-(3-ethylsulfonylpropyl)-4-fluoro-2,3-dihydroinden-1-ol

C14H19FO3S — CID 83069176

IUPAC1-(3-ethylsulfonylpropyl)-4-fluoro-2,3-dihydroinden-1-ol
SMILESCCS(=O)(=O)CCCC1(O)CCc2c(F)cccc21
InChIInChI=1S/C14H19FO3S/c1-2-19(17,18)10-4-8-14(16)9-7-11-12(14)5-3-6-13(11)15/h3,5-6,16H,2,4,7-10H2,1H3
InChIKeyAWGQNYNCRQPXLX-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.17
Rot. Bonds5

About 1-(3-ethylsulfonylpropyl)-4-fluoro-2,3-dihydroinden-1-ol

1-(3-ethylsulfonylpropyl)-4-fluoro-2,3-dihydroinden-1-ol (PubChem CID 83069176) has the molecular formula C14H19FO3S and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(3-ethylsulfonylpropyl)-4-fluoro-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-(3-ethylsulfonylpropyl)-4-fluoro-2,3-dihydroinden-1-ol
PubChem CID83069176
Molecular FormulaC14H19FO3S
Molecular Weight286.37 g/mol
Exact Mass286.10
IUPAC Name1-(3-ethylsulfonylpropyl)-4-fluoro-2,3-dihydroinden-1-ol
SMILESCCS(=O)(=O)CCCC1(O)CCc2c(F)cccc21
InChIInChI=1S/C14H19FO3S/c1-2-19(17,18)10-4-8-14(16)9-7-11-12(14)5-3-6-13(11)15/h3,5-6,16H,2,4,7-10H2,1H3
InChIKeyAWGQNYNCRQPXLX-UHFFFAOYSA-N
XLogP2.17
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(ethylaminomethyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83070139
2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetaldehyde
CID 114795365
4-fluoro-1-(propoxymethyl)-2,3-dihydroinden-1-ol
CID 83069804
2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetonitrile
CID 83069835
4-fluoro-1-[(2-methylpropylamino)methyl]-2,3-dihydroinden-1-ol
CID 83069026
1-[(3,4-difluorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol
CID 83069495
4-(3-ethylsulfonylpropyl)-6,7-dihydro-5H-1-benzofuran-4-ol
CID 113315337
5-fluoro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 105464045
2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)pentanoic acid
CID 83069818
4-fluoro-1-(furan-3-ylmethyl)-2,3-dihydroinden-1-ol
CID 83173066
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83057965
4-fluoro-1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroinden-1-ol
CID 107046342

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylpropyl)-4-fluoro-2,3-dihydroinden-1-ol?
The IUPAC name of 1-(3-ethylsulfonylpropyl)-4-fluoro-2,3-dihydroinden-1-ol (CID 83069176) is 1-(3-ethylsulfonylpropyl)-4-fluoro-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-(3-ethylsulfonylpropyl)-4-fluoro-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-(3-ethylsulfonylpropyl)-4-fluoro-2,3-dihydroinden-1-ol is CCS(=O)(=O)CCCC1(O)CCc2c(F)cccc21.
What is the InChIKey of 1-(3-ethylsulfonylpropyl)-4-fluoro-2,3-dihydroinden-1-ol?
The InChIKey is AWGQNYNCRQPXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO3S/c1-2-19(17,18)10-4-8-14(16)9-7-11-12(14)5-3-6-13(11)15/h3,5-6,16H,2,4,7-10H2,1H3.
What are the key properties of 1-(3-ethylsulfonylpropyl)-4-fluoro-2,3-dihydroinden-1-ol?
1-(3-ethylsulfonylpropyl)-4-fluoro-2,3-dihydroinden-1-ol has a molecular weight of 286.37 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylpropyl)-4-fluoro-2,3-dihydroinden-1-ol is sourced from PubChem (CID 83069176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).