1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-fluoro-2,3-dihydroinden-1-ol

C19H19FO — CID 83057965

IUPAC1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-fluoro-2,3-dihydroinden-1-ol
SMILESOC1(Cc2ccc3c(c2)CCC3)CCc2c(F)cccc21
InChIInChI=1S/C19H19FO/c20-18-6-2-5-17-16(18)9-10-19(17,21)12-13-7-8-14-3-1-4-15(14)11-13/h2,5-8,11,21H,1,3-4,9-10,12H2
InChIKeyHUAVZOGUOVAJLT-UHFFFAOYSA-N
MW282.36 g/mol
LogP3.69
Rot. Bonds2

About 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-fluoro-2,3-dihydroinden-1-ol

1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-fluoro-2,3-dihydroinden-1-ol (PubChem CID 83057965) has the molecular formula C19H19FO and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-fluoro-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-fluoro-2,3-dihydroinden-1-ol
PubChem CID83057965
Molecular FormulaC19H19FO
Molecular Weight282.36 g/mol
Exact Mass282.14
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-fluoro-2,3-dihydroinden-1-ol
SMILESOC1(Cc2ccc3c(c2)CCC3)CCc2c(F)cccc21
InChIInChI=1S/C19H19FO/c20-18-6-2-5-17-16(18)9-10-19(17,21)12-13-7-8-14-3-1-4-15(14)11-13/h2,5-8,11,21H,1,3-4,9-10,12H2
InChIKeyHUAVZOGUOVAJLT-UHFFFAOYSA-N
XLogP3.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-fluoro-2,3-dihydroinden-1-ol?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-fluoro-2,3-dihydroinden-1-ol (CID 83057965) is 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-fluoro-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-fluoro-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-fluoro-2,3-dihydroinden-1-ol is OC1(Cc2ccc3c(c2)CCC3)CCc2c(F)cccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-fluoro-2,3-dihydroinden-1-ol?
The InChIKey is HUAVZOGUOVAJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO/c20-18-6-2-5-17-16(18)9-10-19(17,21)12-13-7-8-14-3-1-4-15(14)11-13/h2,5-8,11,21H,1,3-4,9-10,12H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-fluoro-2,3-dihydroinden-1-ol?
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-fluoro-2,3-dihydroinden-1-ol has a molecular weight of 282.36 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-fluoro-2,3-dihydroinden-1-ol is sourced from PubChem (CID 83057965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).