1-(3-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol

C17H17F3O — CID 115823932

IUPAC1-(3-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESCCc1cccc(C(O)Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H17F3O/c1-2-12-4-3-5-14(10-12)16(21)11-13-6-8-15(9-7-13)17(18,19)20/h3-10,16,21H,2,11H2,1H3
InChIKeyPBWWEVDHYUYPTK-UHFFFAOYSA-N
MW294.32 g/mol
LogP4.54
Rot. Bonds4

About 1-(3-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol

1-(3-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 115823932) has the molecular formula C17H17F3O and a molecular weight of 294.32 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-(3-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID115823932
Molecular FormulaC17H17F3O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name1-(3-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESCCc1cccc(C(O)Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H17F3O/c1-2-12-4-3-5-14(10-12)16(21)11-13-6-8-15(9-7-13)17(18,19)20/h3-10,16,21H,2,11H2,1H3
InChIKeyPBWWEVDHYUYPTK-UHFFFAOYSA-N
XLogP4.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-ethylphenyl)-2-naphthalen-2-ylethanol
CID 105117200
1-(3-bromo-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 81476241
1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-(trifluoromethyl)benzene
CID 63431717
1-(3-ethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103312595
1-(3-ethylphenyl)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol
CID 156763031
2-(4-iodophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 65479087
2-(4-ethylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 115803330
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 63890426
1-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 62607876
1-(3-bromophenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 62608406
(1S)-1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 121456490
1-[bis(4-ethylphenyl)methyl]-4-(trifluoromethyl)benzene
CID 142535811

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 1-(3-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol (CID 115823932) is 1-(3-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 1-(3-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 1-(3-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol is CCc1cccc(C(O)Cc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 1-(3-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is PBWWEVDHYUYPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3O/c1-2-12-4-3-5-14(10-12)16(21)11-13-6-8-15(9-7-13)17(18,19)20/h3-10,16,21H,2,11H2,1H3.
What are the key properties of 1-(3-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol?
1-(3-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 294.32 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 115823932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).