2,2,3,3,3-pentafluoro-1-(2-methoxyphenyl)-1-(2-methylphenyl)propan-1-ol

C17H15F5O2 — CID 162511614

IUPAC2,2,3,3,3-pentafluoro-1-(2-methoxyphenyl)-1-(2-methylphenyl)propan-1-ol
SMILESCOc1ccccc1C(O)(c1ccccc1C)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H15F5O2/c1-11-7-3-4-8-12(11)15(23,16(18,19)17(20,21)22)13-9-5-6-10-14(13)24-2/h3-10,23H,1-2H3
InChIKeyGOHPICGCPBGAIF-UHFFFAOYSA-N
MW346.30 g/mol
LogP4.44
Rot. Bonds4

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

2,2,3,3,3-pentafluoro-1-(2-methoxyphenyl)-1-(2-methylphenyl)propan-1-ol (PubChem CID 162511614) has the molecular formula C17H15F5O2 and a molecular weight of 346.30 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-(2-methoxyphenyl)-1-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-(2-methoxyphenyl)-1-(2-methylphenyl)propan-1-ol
PubChem CID162511614
Molecular FormulaC17H15F5O2
Molecular Weight346.30 g/mol
Exact Mass346.10
IUPAC Name2,2,3,3,3-pentafluoro-1-(2-methoxyphenyl)-1-(2-methylphenyl)propan-1-ol
SMILESCOc1ccccc1C(O)(c1ccccc1C)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H15F5O2/c1-11-7-3-4-8-12(11)15(23,16(18,19)17(20,21)22)13-9-5-6-10-14(13)24-2/h3-10,23H,1-2H3
InChIKeyGOHPICGCPBGAIF-UHFFFAOYSA-N
XLogP4.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 54.44
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

2,2,2-trifluoro-1-(2-methoxyphenyl)-1-phenylethanol
CID 11778513
ethane;1-methoxy-2-(trifluoromethyl)benzene
CID 143508037
1-(5-fluoro-2-methoxyphenyl)-1-(2-methylphenyl)ethanol
CID 82770234
1,1,1-trifluoro-2-(2-methoxy-6-methylphenyl)propan-2-ol
CID 83950086
2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 591994
3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol
CID 606344
3-(2-methoxyphenyl)penta-1,4-diyn-3-ol
CID 11056360
(2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol
CID 7707238
1-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 62787433
1-methoxy-2-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methoxydecan-2-yl)benzene
CID 156765653
1-(2,6-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 116809641
(2S)-2-(2-methoxyphenyl)butan-2-ol
CID 93303591

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-1-(2-methoxyphenyl)-1-(2-methylphenyl)propan-1-ol?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-(2-methoxyphenyl)-1-(2-methylphenyl)propan-1-ol (CID 162511614) is 2,2,3,3,3-pentafluoro-1-(2-methoxyphenyl)-1-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-(2-methoxyphenyl)-1-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-(2-methoxyphenyl)-1-(2-methylphenyl)propan-1-ol is COc1ccccc1C(O)(c1ccccc1C)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-(2-methoxyphenyl)-1-(2-methylphenyl)propan-1-ol?
The InChIKey is GOHPICGCPBGAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F5O2/c1-11-7-3-4-8-12(11)15(23,16(18,19)17(20,21)22)13-9-5-6-10-14(13)24-2/h3-10,23H,1-2H3.
What are the key properties of 2,2,3,3,3-pentafluoro-1-(2-methoxyphenyl)-1-(2-methylphenyl)propan-1-ol?
2,2,3,3,3-pentafluoro-1-(2-methoxyphenyl)-1-(2-methylphenyl)propan-1-ol has a molecular weight of 346.30 g/mol, XLogP of 4.44, 4 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-(2-methoxyphenyl)-1-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 162511614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).