2-(4-methoxyphenyl)-9-(trifluoromethyl)fluoren-9-ol

C21H15F3O2 — CID 59492953

IUPAC2-(4-methoxyphenyl)-9-(trifluoromethyl)fluoren-9-ol
SMILESCOc1ccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cc1
InChIInChI=1S/C21H15F3O2/c1-26-15-9-6-13(7-10-15)14-8-11-17-16-4-2-3-5-18(16)20(25,19(17)12-14)21(22,23)24/h2-12,25H,1H3
InChIKeyDQWYTYBEYISNMW-UHFFFAOYSA-N
MW356.34 g/mol
LogP5.14
Rot. Bonds2

About 2-(4-methoxyphenyl)-9-(trifluoromethyl)fluoren-9-ol

2-(4-methoxyphenyl)-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492953) has the molecular formula C21H15F3O2 and a molecular weight of 356.34 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492953
Molecular FormulaC21H15F3O2
Molecular Weight356.34 g/mol
Exact Mass356.10
IUPAC Name2-(4-methoxyphenyl)-9-(trifluoromethyl)fluoren-9-ol
SMILESCOc1ccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cc1
InChIInChI=1S/C21H15F3O2/c1-26-15-9-6-13(7-10-15)14-8-11-17-16-4-2-3-5-18(16)20(25,19(17)12-14)21(22,23)24/h2-12,25H,1H3
InChIKeyDQWYTYBEYISNMW-UHFFFAOYSA-N
XLogP5.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.34
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 2-(4-methoxyphenyl)-9-(trifluoromethyl)fluoren-9-ol (CID 59492953) is 2-(4-methoxyphenyl)-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 2-(4-methoxyphenyl)-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 2-(4-methoxyphenyl)-9-(trifluoromethyl)fluoren-9-ol is COc1ccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is DQWYTYBEYISNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3O2/c1-26-15-9-6-13(7-10-15)14-8-11-17-16-4-2-3-5-18(16)20(25,19(17)12-14)21(22,23)24/h2-12,25H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-9-(trifluoromethyl)fluoren-9-ol?
2-(4-methoxyphenyl)-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 356.34 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).