2-(4-ethoxy-2,3-dimethylphenyl)-1,1,1-trifluorobutan-2-ol

C14H19F3O2 — CID 83958906

IUPAC2-(4-ethoxy-2,3-dimethylphenyl)-1,1,1-trifluorobutan-2-ol
SMILESCCOc1ccc(C(O)(CC)C(F)(F)F)c(C)c1C
InChIInChI=1S/C14H19F3O2/c1-5-13(18,14(15,16)17)11-7-8-12(19-6-2)10(4)9(11)3/h7-8,18H,5-6H2,1-4H3
InChIKeyLPIKIHVEOOQPLQ-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.86
Rot. Bonds4

About 2-(4-ethoxy-2,3-dimethylphenyl)-1,1,1-trifluorobutan-2-ol

2-(4-ethoxy-2,3-dimethylphenyl)-1,1,1-trifluorobutan-2-ol (PubChem CID 83958906) has the molecular formula C14H19F3O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-(4-ethoxy-2,3-dimethylphenyl)-1,1,1-trifluorobutan-2-ol.

Molecular Properties

Compound Name2-(4-ethoxy-2,3-dimethylphenyl)-1,1,1-trifluorobutan-2-ol
PubChem CID83958906
Molecular FormulaC14H19F3O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name2-(4-ethoxy-2,3-dimethylphenyl)-1,1,1-trifluorobutan-2-ol
SMILESCCOc1ccc(C(O)(CC)C(F)(F)F)c(C)c1C
InChIInChI=1S/C14H19F3O2/c1-5-13(18,14(15,16)17)11-7-8-12(19-6-2)10(4)9(11)3/h7-8,18H,5-6H2,1-4H3
InChIKeyLPIKIHVEOOQPLQ-UHFFFAOYSA-N
XLogP3.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-2-(2-methoxy-5-methylphenyl)butan-2-ol
CID 83958038
1-(1,1-difluoropropyl)-4-methoxy-2,3-dimethylbenzene
CID 116841280
2-(2,5-dimethyl-4-propoxyphenyl)-1,1,1-trifluorobutan-2-ol
CID 83959004
2,4-diethoxy-3-methylphenol
CID 11030728
2-(2-ethoxyphenyl)-4,4,4-trifluorobutan-2-ol
CID 156763137
2-(2,4-dichlorophenyl)-1,1,1-trifluorobutan-2-ol
CID 83957607
2-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-ol
CID 83950267
1-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
CID 139967229
ethyl 4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)benzoate
CID 102390043
1-bromo-2-(2-ethoxyphenyl)-1,1-difluoropropan-2-ol
CID 107140543
4-ethoxy-2-ethyl-3-methylphenol
CID 162375114
1,1,1-trifluoro-2-(4-propoxyphenyl)butan-2-ol
CID 83957964

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2,3-dimethylphenyl)-1,1,1-trifluorobutan-2-ol?
The IUPAC name of 2-(4-ethoxy-2,3-dimethylphenyl)-1,1,1-trifluorobutan-2-ol (CID 83958906) is 2-(4-ethoxy-2,3-dimethylphenyl)-1,1,1-trifluorobutan-2-ol.
What is the SMILES notation for 2-(4-ethoxy-2,3-dimethylphenyl)-1,1,1-trifluorobutan-2-ol?
The canonical SMILES for 2-(4-ethoxy-2,3-dimethylphenyl)-1,1,1-trifluorobutan-2-ol is CCOc1ccc(C(O)(CC)C(F)(F)F)c(C)c1C.
What is the InChIKey of 2-(4-ethoxy-2,3-dimethylphenyl)-1,1,1-trifluorobutan-2-ol?
The InChIKey is LPIKIHVEOOQPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O2/c1-5-13(18,14(15,16)17)11-7-8-12(19-6-2)10(4)9(11)3/h7-8,18H,5-6H2,1-4H3.
What are the key properties of 2-(4-ethoxy-2,3-dimethylphenyl)-1,1,1-trifluorobutan-2-ol?
2-(4-ethoxy-2,3-dimethylphenyl)-1,1,1-trifluorobutan-2-ol has a molecular weight of 276.30 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2,3-dimethylphenyl)-1,1,1-trifluorobutan-2-ol is sourced from PubChem (CID 83958906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).