4-[8-(trifluoromethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-4-yl]phenol

C19H17F3O2 — CID 10125843

IUPAC4-[8-(trifluoromethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-4-yl]phenol
SMILESOc1ccc(C2Oc3ccc(C(F)(F)F)cc3C3CCCC32)cc1
InChIInChI=1S/C19H17F3O2/c20-19(21,22)12-6-9-17-16(10-12)14-2-1-3-15(14)18(24-17)11-4-7-13(23)8-5-11/h4-10,14-15,18,23H,1-3H2
InChIKeyOHGIVJUAHOYXLU-UHFFFAOYSA-N
MW334.34 g/mol
LogP5.43
Rot. Bonds1

About 4-[8-(trifluoromethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-4-yl]phenol

4-[8-(trifluoromethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-4-yl]phenol (PubChem CID 10125843) has the molecular formula C19H17F3O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 4-[8-(trifluoromethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-4-yl]phenol.

Molecular Properties

Compound Name4-[8-(trifluoromethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-4-yl]phenol
PubChem CID10125843
Molecular FormulaC19H17F3O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Name4-[8-(trifluoromethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-4-yl]phenol
SMILESOc1ccc(C2Oc3ccc(C(F)(F)F)cc3C3CCCC32)cc1
InChIInChI=1S/C19H17F3O2/c20-19(21,22)12-6-9-17-16(10-12)14-2-1-3-15(14)18(24-17)11-4-7-13(23)8-5-11/h4-10,14-15,18,23H,1-3H2
InChIKeyOHGIVJUAHOYXLU-UHFFFAOYSA-N
XLogP5.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.34
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[8-(trifluoromethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-4-yl]phenol?
The IUPAC name of 4-[8-(trifluoromethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-4-yl]phenol (CID 10125843) is 4-[8-(trifluoromethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-4-yl]phenol.
What is the SMILES notation for 4-[8-(trifluoromethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-4-yl]phenol?
The canonical SMILES for 4-[8-(trifluoromethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-4-yl]phenol is Oc1ccc(C2Oc3ccc(C(F)(F)F)cc3C3CCCC32)cc1.
What is the InChIKey of 4-[8-(trifluoromethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-4-yl]phenol?
The InChIKey is OHGIVJUAHOYXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3O2/c20-19(21,22)12-6-9-17-16(10-12)14-2-1-3-15(14)18(24-17)11-4-7-13(23)8-5-11/h4-10,14-15,18,23H,1-3H2.
What are the key properties of 4-[8-(trifluoromethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-4-yl]phenol?
4-[8-(trifluoromethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-4-yl]phenol has a molecular weight of 334.34 g/mol, XLogP of 5.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(trifluoromethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-4-yl]phenol is sourced from PubChem (CID 10125843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).