3-(4-hydroxyphenyl)-1,1,3-trimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-inden-5-ol

C21H23F3O3 — CID 126486220

IUPAC3-(4-hydroxyphenyl)-1,1,3-trimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-inden-5-ol
SMILESCC1(C)CC(C)(c2ccc(O)cc2)c2c1ccc(O)c2C(C)(O)C(F)(F)F
InChIInChI=1S/C21H23F3O3/c1-18(2)11-19(3,12-5-7-13(25)8-6-12)16-14(18)9-10-15(26)17(16)20(4,27)21(22,23)24/h5-10,25-27H,11H2,1-4H3
InChIKeyIFAUFCKSPQVHOS-UHFFFAOYSA-N
MW380.41 g/mol
LogP4.85
Rot. Bonds2

About 3-(4-hydroxyphenyl)-1,1,3-trimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-inden-5-ol

3-(4-hydroxyphenyl)-1,1,3-trimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-inden-5-ol (PubChem CID 126486220) has the molecular formula C21H23F3O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-1,1,3-trimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-inden-5-ol.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-1,1,3-trimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-inden-5-ol
PubChem CID126486220
Molecular FormulaC21H23F3O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC Name3-(4-hydroxyphenyl)-1,1,3-trimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-inden-5-ol
SMILESCC1(C)CC(C)(c2ccc(O)cc2)c2c1ccc(O)c2C(C)(O)C(F)(F)F
InChIInChI=1S/C21H23F3O3/c1-18(2)11-19(3,12-5-7-13(25)8-6-12)16-14(18)9-10-15(26)17(16)20(4,27)21(22,23)24/h5-10,25-27H,11H2,1-4H3
InChIKeyIFAUFCKSPQVHOS-UHFFFAOYSA-N
XLogP4.85
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-1,1,3-trimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-inden-5-ol?
The IUPAC name of 3-(4-hydroxyphenyl)-1,1,3-trimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-inden-5-ol (CID 126486220) is 3-(4-hydroxyphenyl)-1,1,3-trimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-inden-5-ol.
What is the SMILES notation for 3-(4-hydroxyphenyl)-1,1,3-trimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-inden-5-ol?
The canonical SMILES for 3-(4-hydroxyphenyl)-1,1,3-trimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-inden-5-ol is CC1(C)CC(C)(c2ccc(O)cc2)c2c1ccc(O)c2C(C)(O)C(F)(F)F.
What is the InChIKey of 3-(4-hydroxyphenyl)-1,1,3-trimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-inden-5-ol?
The InChIKey is IFAUFCKSPQVHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3O3/c1-18(2)11-19(3,12-5-7-13(25)8-6-12)16-14(18)9-10-15(26)17(16)20(4,27)21(22,23)24/h5-10,25-27H,11H2,1-4H3.
What are the key properties of 3-(4-hydroxyphenyl)-1,1,3-trimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-inden-5-ol?
3-(4-hydroxyphenyl)-1,1,3-trimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-inden-5-ol has a molecular weight of 380.41 g/mol, XLogP of 4.85, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-1,1,3-trimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-inden-5-ol is sourced from PubChem (CID 126486220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).