1,1,1-trifluoro-2-[2-methyl-4-(2-methylpropoxy)phenyl]propan-2-ol

C14H19F3O2 — CID 83958506

IUPAC1,1,1-trifluoro-2-[2-methyl-4-(2-methylpropoxy)phenyl]propan-2-ol
SMILESCc1cc(OCC(C)C)ccc1C(C)(O)C(F)(F)F
InChIInChI=1S/C14H19F3O2/c1-9(2)8-19-11-5-6-12(10(3)7-11)13(4,18)14(15,16)17/h5-7,9,18H,8H2,1-4H3
InChIKeyQBKMLNSGWPASNE-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.80
Rot. Bonds4

About 1,1,1-trifluoro-2-[2-methyl-4-(2-methylpropoxy)phenyl]propan-2-ol

1,1,1-trifluoro-2-[2-methyl-4-(2-methylpropoxy)phenyl]propan-2-ol (PubChem CID 83958506) has the molecular formula C14H19F3O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[2-methyl-4-(2-methylpropoxy)phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[2-methyl-4-(2-methylpropoxy)phenyl]propan-2-ol
PubChem CID83958506
Molecular FormulaC14H19F3O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name1,1,1-trifluoro-2-[2-methyl-4-(2-methylpropoxy)phenyl]propan-2-ol
SMILESCc1cc(OCC(C)C)ccc1C(C)(O)C(F)(F)F
InChIInChI=1S/C14H19F3O2/c1-9(2)8-19-11-5-6-12(10(3)7-11)13(4,18)14(15,16)17/h5-7,9,18H,8H2,1-4H3
InChIKeyQBKMLNSGWPASNE-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dimethyl-4-(2-methylpropoxy)benzene
CID 20812254
[2-methyl-4-(2-methylpropoxy)phenyl]boronic acid
CID 83140010
[4-(2-methylpropoxy)-2-(trifluoromethyl)phenyl]boronic acid
CID 56737670
1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone
CID 20716286
2-methyl-4-(2-methylpropoxy)benzonitrile
CID 80502714
3-[2-methyl-4-(2-methylpropoxy)phenyl]butanoic acid
CID 83958510
2-[(4-bromo-3-methylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366836
(2S)-1-(4-bromo-3-methylphenoxy)propan-2-ol
CID 106933180
3-(4-methoxy-2-methylphenyl)-2-methylpentan-3-ol
CID 65313856
N'-(2-ethyl-6-methylphenyl)-N-[3-(2-methylpropoxy)phenyl]ethane-1,2-diamine
CID 54810109
2-[2,5-dimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 58543613
1,1,1-trifluoro-2-[5-(2-hydroxypropan-2-yl)-2,4-dimethylphenyl]propan-2-ol
CID 118176007

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[2-methyl-4-(2-methylpropoxy)phenyl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[2-methyl-4-(2-methylpropoxy)phenyl]propan-2-ol (CID 83958506) is 1,1,1-trifluoro-2-[2-methyl-4-(2-methylpropoxy)phenyl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[2-methyl-4-(2-methylpropoxy)phenyl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[2-methyl-4-(2-methylpropoxy)phenyl]propan-2-ol is Cc1cc(OCC(C)C)ccc1C(C)(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[2-methyl-4-(2-methylpropoxy)phenyl]propan-2-ol?
The InChIKey is QBKMLNSGWPASNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O2/c1-9(2)8-19-11-5-6-12(10(3)7-11)13(4,18)14(15,16)17/h5-7,9,18H,8H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-2-[2-methyl-4-(2-methylpropoxy)phenyl]propan-2-ol?
1,1,1-trifluoro-2-[2-methyl-4-(2-methylpropoxy)phenyl]propan-2-ol has a molecular weight of 276.30 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[2-methyl-4-(2-methylpropoxy)phenyl]propan-2-ol is sourced from PubChem (CID 83958506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).