2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-1-(3-phenylphenyl)propan-1-ol

C22H17F5O2 — CID 166059803

IUPAC2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-1-(3-phenylphenyl)propan-1-ol
SMILESCOc1ccc(C(O)(c2cccc(-c3ccccc3)c2)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C22H17F5O2/c1-29-19-12-10-17(11-13-19)20(28,21(23,24)22(25,26)27)18-9-5-8-16(14-18)15-6-3-2-4-7-15/h2-14,28H,1H3
InChIKeyUMYBJPXHFWDQQC-UHFFFAOYSA-N
MW408.37 g/mol
LogP5.80
Rot. Bonds5

About 2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-1-(3-phenylphenyl)propan-1-ol

2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-1-(3-phenylphenyl)propan-1-ol (PubChem CID 166059803) has the molecular formula C22H17F5O2 and a molecular weight of 408.37 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-1-(3-phenylphenyl)propan-1-ol.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-1-(3-phenylphenyl)propan-1-ol
PubChem CID166059803
Molecular FormulaC22H17F5O2
Molecular Weight408.37 g/mol
Exact Mass408.11
IUPAC Name2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-1-(3-phenylphenyl)propan-1-ol
SMILESCOc1ccc(C(O)(c2cccc(-c3ccccc3)c2)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C22H17F5O2/c1-29-19-12-10-17(11-13-19)20(28,21(23,24)22(25,26)27)18-9-5-8-16(14-18)15-6-3-2-4-7-15/h2-14,28H,1H3
InChIKeyUMYBJPXHFWDQQC-UHFFFAOYSA-N
XLogP5.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.37
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

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Alpha-cyclopropyl-4-methoxydiphenylmethanol
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4,4''-Dimethoxy-1,1':3',1''-terphenyl
CID 4608762
1~4~-Ethyl-3~4~-(trifluoromethoxy)-1~1~,1~2~,1~3~,1~4~,1~5~,1~6~,2~1~,2~2~,2~3~,2~4~,2~5~,2~6~-dodecahydro-1~1~,2~1~:2~4~,3~1~-terphenyl
CID 604782

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-1-(3-phenylphenyl)propan-1-ol?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-1-(3-phenylphenyl)propan-1-ol (CID 166059803) is 2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-1-(3-phenylphenyl)propan-1-ol.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-1-(3-phenylphenyl)propan-1-ol?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-1-(3-phenylphenyl)propan-1-ol is COc1ccc(C(O)(c2cccc(-c3ccccc3)c2)C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-1-(3-phenylphenyl)propan-1-ol?
The InChIKey is UMYBJPXHFWDQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F5O2/c1-29-19-12-10-17(11-13-19)20(28,21(23,24)22(25,26)27)18-9-5-8-16(14-18)15-6-3-2-4-7-15/h2-14,28H,1H3.
What are the key properties of 2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-1-(3-phenylphenyl)propan-1-ol?
2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-1-(3-phenylphenyl)propan-1-ol has a molecular weight of 408.37 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-1-(3-phenylphenyl)propan-1-ol is sourced from PubChem (CID 166059803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).