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

C21H15F3O2 — CID 59492789

IUPAC2-(2-methoxyphenyl)-9-(trifluoromethyl)fluoren-9-ol
SMILESCOc1ccccc1-c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C21H15F3O2/c1-26-19-9-5-3-6-14(19)13-10-11-16-15-7-2-4-8-17(15)20(25,18(16)12-13)21(22,23)24/h2-12,25H,1H3
InChIKeyJSSFHVAQAUCJSQ-UHFFFAOYSA-N
MW356.34 g/mol
LogP5.14
Rot. Bonds2

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

2-(2-methoxyphenyl)-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492789) has the molecular formula C21H15F3O2 and a molecular weight of 356.34 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492789
Molecular FormulaC21H15F3O2
Molecular Weight356.34 g/mol
Exact Mass356.10
IUPAC Name2-(2-methoxyphenyl)-9-(trifluoromethyl)fluoren-9-ol
SMILESCOc1ccccc1-c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C21H15F3O2/c1-26-19-9-5-3-6-14(19)13-10-11-16-15-7-2-4-8-17(15)20(25,18(16)12-13)21(22,23)24/h2-12,25H,1H3
InChIKeyJSSFHVAQAUCJSQ-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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Related Compounds

CID 49782554
CID 49782554
CID 127031151
CID 127031151
CID 59492533
CID 59492533
CID 59492669
CID 59492669
CID 59492953
CID 59492953
CID 59493031
CID 59493031
CID 59493222
CID 59493222
CID 49782555
CID 49782555
CID 49782777
CID 49782777
CID 49782778
CID 49782778
CID 71811658
CID 71811658
CID 71811659
CID 71811659

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 2-(2-methoxyphenyl)-9-(trifluoromethyl)fluoren-9-ol (CID 59492789) is 2-(2-methoxyphenyl)-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 2-(2-methoxyphenyl)-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 2-(2-methoxyphenyl)-9-(trifluoromethyl)fluoren-9-ol is COc1ccccc1-c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 2-(2-methoxyphenyl)-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is JSSFHVAQAUCJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3O2/c1-26-19-9-5-3-6-14(19)13-10-11-16-15-7-2-4-8-17(15)20(25,18(16)12-13)21(22,23)24/h2-12,25H,1H3.
What are the key properties of 2-(2-methoxyphenyl)-9-(trifluoromethyl)fluoren-9-ol?
2-(2-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-(2-methoxyphenyl)-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).