1-(4-phenylmethoxy-3-propan-2-ylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-5-ol

C26H25F3O2 — CID 156555940

IUPAC1-(4-phenylmethoxy-3-propan-2-ylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-5-ol
SMILESCC(C)c1cc(C2CCc3cc(O)cc(C(F)(F)F)c32)ccc1OCc1ccccc1
InChIInChI=1S/C26H25F3O2/c1-16(2)22-13-18(9-11-24(22)31-15-17-6-4-3-5-7-17)21-10-8-19-12-20(30)14-23(25(19)21)26(27,28)29/h3-7,9,11-14,16,21,30H,8,10,15H2,1-2H3
InChIKeyMWXURMANGJLGQR-UHFFFAOYSA-N
MW426.48 g/mol
LogP7.19
Rot. Bonds5

About 1-(4-phenylmethoxy-3-propan-2-ylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-5-ol

1-(4-phenylmethoxy-3-propan-2-ylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-5-ol (PubChem CID 156555940) has the molecular formula C26H25F3O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 1-(4-phenylmethoxy-3-propan-2-ylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-(4-phenylmethoxy-3-propan-2-ylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-5-ol
PubChem CID156555940
Molecular FormulaC26H25F3O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC Name1-(4-phenylmethoxy-3-propan-2-ylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-5-ol
SMILESCC(C)c1cc(C2CCc3cc(O)cc(C(F)(F)F)c32)ccc1OCc1ccccc1
InChIInChI=1S/C26H25F3O2/c1-16(2)22-13-18(9-11-24(22)31-15-17-6-4-3-5-7-17)21-10-8-19-12-20(30)14-23(25(19)21)26(27,28)29/h3-7,9,11-14,16,21,30H,8,10,15H2,1-2H3
InChIKeyMWXURMANGJLGQR-UHFFFAOYSA-N
XLogP7.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.48
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylmethoxy-3-propan-2-ylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-(4-phenylmethoxy-3-propan-2-ylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-5-ol (CID 156555940) is 1-(4-phenylmethoxy-3-propan-2-ylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-(4-phenylmethoxy-3-propan-2-ylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-(4-phenylmethoxy-3-propan-2-ylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-5-ol is CC(C)c1cc(C2CCc3cc(O)cc(C(F)(F)F)c32)ccc1OCc1ccccc1.
What is the InChIKey of 1-(4-phenylmethoxy-3-propan-2-ylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-5-ol?
The InChIKey is MWXURMANGJLGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3O2/c1-16(2)22-13-18(9-11-24(22)31-15-17-6-4-3-5-7-17)21-10-8-19-12-20(30)14-23(25(19)21)26(27,28)29/h3-7,9,11-14,16,21,30H,8,10,15H2,1-2H3.
What are the key properties of 1-(4-phenylmethoxy-3-propan-2-ylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-5-ol?
1-(4-phenylmethoxy-3-propan-2-ylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-5-ol has a molecular weight of 426.48 g/mol, XLogP of 7.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylmethoxy-3-propan-2-ylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 156555940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).