[3-(2,3-dihydro-1H-inden-5-ylmethyl)-5-(trifluoromethyl)phenyl]methanol

C18H17F3O — CID 91375391

IUPAC[3-(2,3-dihydro-1H-inden-5-ylmethyl)-5-(trifluoromethyl)phenyl]methanol
SMILESOCc1cc(Cc2ccc3c(c2)CCC3)cc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3O/c19-18(20,21)17-9-13(7-14(10-17)11-22)6-12-4-5-15-2-1-3-16(15)8-12/h4-5,7-10,22H,1-3,6,11H2
InChIKeyNPDFHAHDCHESFB-UHFFFAOYSA-N
MW306.33 g/mol
LogP4.28
Rot. Bonds3

About [3-(2,3-dihydro-1H-inden-5-ylmethyl)-5-(trifluoromethyl)phenyl]methanol

[3-(2,3-dihydro-1H-inden-5-ylmethyl)-5-(trifluoromethyl)phenyl]methanol (PubChem CID 91375391) has the molecular formula C18H17F3O and a molecular weight of 306.33 g/mol. Its IUPAC name is [3-(2,3-dihydro-1H-inden-5-ylmethyl)-5-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[3-(2,3-dihydro-1H-inden-5-ylmethyl)-5-(trifluoromethyl)phenyl]methanol
PubChem CID91375391
Molecular FormulaC18H17F3O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name[3-(2,3-dihydro-1H-inden-5-ylmethyl)-5-(trifluoromethyl)phenyl]methanol
SMILESOCc1cc(Cc2ccc3c(c2)CCC3)cc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3O/c19-18(20,21)17-9-13(7-14(10-17)11-22)6-12-4-5-15-2-1-3-16(15)8-12/h4-5,7-10,22H,1-3,6,11H2
InChIKeyNPDFHAHDCHESFB-UHFFFAOYSA-N
XLogP4.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dihydro-1H-inden-5-ylmethyl)-5-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [3-(2,3-dihydro-1H-inden-5-ylmethyl)-5-(trifluoromethyl)phenyl]methanol (CID 91375391) is [3-(2,3-dihydro-1H-inden-5-ylmethyl)-5-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [3-(2,3-dihydro-1H-inden-5-ylmethyl)-5-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [3-(2,3-dihydro-1H-inden-5-ylmethyl)-5-(trifluoromethyl)phenyl]methanol is OCc1cc(Cc2ccc3c(c2)CCC3)cc(C(F)(F)F)c1.
What is the InChIKey of [3-(2,3-dihydro-1H-inden-5-ylmethyl)-5-(trifluoromethyl)phenyl]methanol?
The InChIKey is NPDFHAHDCHESFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3O/c19-18(20,21)17-9-13(7-14(10-17)11-22)6-12-4-5-15-2-1-3-16(15)8-12/h4-5,7-10,22H,1-3,6,11H2.
What are the key properties of [3-(2,3-dihydro-1H-inden-5-ylmethyl)-5-(trifluoromethyl)phenyl]methanol?
[3-(2,3-dihydro-1H-inden-5-ylmethyl)-5-(trifluoromethyl)phenyl]methanol has a molecular weight of 306.33 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dihydro-1H-inden-5-ylmethyl)-5-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 91375391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).