1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanol

C17H17F3O2 — CID 83952092

IUPAC1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanol
SMILESCc1ccc(C)c(COc2cccc(C(O)C(F)(F)F)c2)c1
InChIInChI=1S/C17H17F3O2/c1-11-6-7-12(2)14(8-11)10-22-15-5-3-4-13(9-15)16(21)17(18,19)20/h3-9,16,21H,10H2,1-2H3
InChIKeyRXJXYDKPAYUVSI-UHFFFAOYSA-N
MW310.32 g/mol
LogP4.48
Rot. Bonds4

About 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanol

1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanol (PubChem CID 83952092) has the molecular formula C17H17F3O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanol
PubChem CID83952092
Molecular FormulaC17H17F3O2
Molecular Weight310.32 g/mol
Exact Mass310.12
IUPAC Name1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanol
SMILESCc1ccc(C)c(COc2cccc(C(O)C(F)(F)F)c2)c1
InChIInChI=1S/C17H17F3O2/c1-11-6-7-12(2)14(8-11)10-22-15-5-3-4-13(9-15)16(21)17(18,19)20/h3-9,16,21H,10H2,1-2H3
InChIKeyRXJXYDKPAYUVSI-UHFFFAOYSA-N
XLogP4.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 78936316
1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-N-methylethanamine
CID 61482062
1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanone
CID 83952085
N-[3-[(2,5-dimethylphenyl)methoxy]phenyl]acetamide
CID 7698442
2-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 61482133
3-[3-[(2,5-dimethylphenyl)methoxy]phenyl]prop-2-yn-1-ol
CID 61481933
methyl 2-[[3-[(2,5-dimethylphenyl)methoxy]phenoxy]methyl]-6-methylbenzoate
CID 22241250
4-[3-[(2,5-dimethylphenyl)methoxy]phenyl]butan-2-amine
CID 83952087
2-[(4-tert-butylphenoxy)methyl]-1,4-dimethylbenzene
CID 60627982
(1R)-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 63366566
1-methyl-2-[(3-methylphenoxy)methyl]benzene
CID 60627935
[4-[(2,5-dimethylphenyl)methoxy]phenyl]boronic acid
CID 61481951

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanol?
The IUPAC name of 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanol (CID 83952092) is 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanol?
The canonical SMILES for 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanol is Cc1ccc(C)c(COc2cccc(C(O)C(F)(F)F)c2)c1.
What is the InChIKey of 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanol?
The InChIKey is RXJXYDKPAYUVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3O2/c1-11-6-7-12(2)14(8-11)10-22-15-5-3-4-13(9-15)16(21)17(18,19)20/h3-9,16,21H,10H2,1-2H3.
What are the key properties of 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanol?
1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanol has a molecular weight of 310.32 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanol is sourced from PubChem (CID 83952092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).