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

C21H15F3O2 — CID 59493195

IUPAC2-phenylmethoxy-9-(trifluoromethyl)fluoren-9-ol
SMILESOC1(C(F)(F)F)c2ccccc2-c2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C21H15F3O2/c22-21(23,24)20(25)18-9-5-4-8-16(18)17-11-10-15(12-19(17)20)26-13-14-6-2-1-3-7-14/h1-12,25H,13H2
InChIKeyYKJPJDDFSVOLDE-UHFFFAOYSA-N
MW356.34 g/mol
LogP5.04
Rot. Bonds3

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

2-phenylmethoxy-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59493195) has the molecular formula C21H15F3O2 and a molecular weight of 356.34 g/mol. Its IUPAC name is 2-phenylmethoxy-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name2-phenylmethoxy-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59493195
Molecular FormulaC21H15F3O2
Molecular Weight356.34 g/mol
Exact Mass356.10
IUPAC Name2-phenylmethoxy-9-(trifluoromethyl)fluoren-9-ol
SMILESOC1(C(F)(F)F)c2ccccc2-c2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C21H15F3O2/c22-21(23,24)20(25)18-9-5-4-8-16(18)17-11-10-15(12-19(17)20)26-13-14-6-2-1-3-7-14/h1-12,25H,13H2
InChIKeyYKJPJDDFSVOLDE-UHFFFAOYSA-N
XLogP5.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.34
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutane-1,1-diol
CID 162559010
2-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl-methylamino]acetic acid
CID 59492579
4,4-difluoro-6-phenylmethoxy-2,3-dihydronaphthalen-1-one
CID 170705975
ethyl 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoate
CID 59492500
5-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxypentanoic acid
CID 143972678
2-phenyl-5-phenylmethoxyphenol
CID 123808909
1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]piperidin-3-one
CID 162559119
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
3,3-dimethyl-5-phenylmethoxy-2-benzofuran-1-one
CID 122389437
1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene
CID 91488860
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
2-(4-fluorophenyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59492604

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 2-phenylmethoxy-9-(trifluoromethyl)fluoren-9-ol (CID 59493195) is 2-phenylmethoxy-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 2-phenylmethoxy-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 2-phenylmethoxy-9-(trifluoromethyl)fluoren-9-ol is OC1(C(F)(F)F)c2ccccc2-c2ccc(OCc3ccccc3)cc21.
What is the InChIKey of 2-phenylmethoxy-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is YKJPJDDFSVOLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3O2/c22-21(23,24)20(25)18-9-5-4-8-16(18)17-11-10-15(12-19(17)20)26-13-14-6-2-1-3-7-14/h1-12,25H,13H2.
What are the key properties of 2-phenylmethoxy-9-(trifluoromethyl)fluoren-9-ol?
2-phenylmethoxy-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 356.34 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59493195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).