3-methoxy-3-(trifluoromethyl)-1,2-dihydroinden-4-ol

C11H11F3O2 — CID 84736310

IUPAC3-methoxy-3-(trifluoromethyl)-1,2-dihydroinden-4-ol
SMILESCOC1(C(F)(F)F)CCc2cccc(O)c21
InChIInChI=1S/C11H11F3O2/c1-16-10(11(12,13)14)6-5-7-3-2-4-8(15)9(7)10/h2-4,15H,5-6H2,1H3
InChIKeyJKSFMZBBHCHKDK-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.74
Rot. Bonds1

About 3-methoxy-3-(trifluoromethyl)-1,2-dihydroinden-4-ol

3-methoxy-3-(trifluoromethyl)-1,2-dihydroinden-4-ol (PubChem CID 84736310) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is 3-methoxy-3-(trifluoromethyl)-1,2-dihydroinden-4-ol.

Molecular Properties

Compound Name3-methoxy-3-(trifluoromethyl)-1,2-dihydroinden-4-ol
PubChem CID84736310
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name3-methoxy-3-(trifluoromethyl)-1,2-dihydroinden-4-ol
SMILESCOC1(C(F)(F)F)CCc2cccc(O)c21
InChIInChI=1S/C11H11F3O2/c1-16-10(11(12,13)14)6-5-7-3-2-4-8(15)9(7)10/h2-4,15H,5-6H2,1H3
InChIKeyJKSFMZBBHCHKDK-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-(trifluoromethyl)-1,2-dihydroinden-4-ol?
The IUPAC name of 3-methoxy-3-(trifluoromethyl)-1,2-dihydroinden-4-ol (CID 84736310) is 3-methoxy-3-(trifluoromethyl)-1,2-dihydroinden-4-ol.
What is the SMILES notation for 3-methoxy-3-(trifluoromethyl)-1,2-dihydroinden-4-ol?
The canonical SMILES for 3-methoxy-3-(trifluoromethyl)-1,2-dihydroinden-4-ol is COC1(C(F)(F)F)CCc2cccc(O)c21.
What is the InChIKey of 3-methoxy-3-(trifluoromethyl)-1,2-dihydroinden-4-ol?
The InChIKey is JKSFMZBBHCHKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2/c1-16-10(11(12,13)14)6-5-7-3-2-4-8(15)9(7)10/h2-4,15H,5-6H2,1H3.
What are the key properties of 3-methoxy-3-(trifluoromethyl)-1,2-dihydroinden-4-ol?
3-methoxy-3-(trifluoromethyl)-1,2-dihydroinden-4-ol has a molecular weight of 232.20 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-(trifluoromethyl)-1,2-dihydroinden-4-ol is sourced from PubChem (CID 84736310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).