1,1,1-trifluoro-2-(4-methoxy-2,3,6-trimethylphenyl)butan-2-ol

C14H19F3O2 — CID 83958837

IUPAC1,1,1-trifluoro-2-(4-methoxy-2,3,6-trimethylphenyl)butan-2-ol
SMILESCCC(O)(c1c(C)cc(OC)c(C)c1C)C(F)(F)F
InChIInChI=1S/C14H19F3O2/c1-6-13(18,14(15,16)17)12-8(2)7-11(19-5)9(3)10(12)4/h7,18H,6H2,1-5H3
InChIKeyVVCRFSNYGQNUJU-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.78
Rot. Bonds3

About 1,1,1-trifluoro-2-(4-methoxy-2,3,6-trimethylphenyl)butan-2-ol

1,1,1-trifluoro-2-(4-methoxy-2,3,6-trimethylphenyl)butan-2-ol (PubChem CID 83958837) has the molecular formula C14H19F3O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(4-methoxy-2,3,6-trimethylphenyl)butan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(4-methoxy-2,3,6-trimethylphenyl)butan-2-ol
PubChem CID83958837
Molecular FormulaC14H19F3O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name1,1,1-trifluoro-2-(4-methoxy-2,3,6-trimethylphenyl)butan-2-ol
SMILESCCC(O)(c1c(C)cc(OC)c(C)c1C)C(F)(F)F
InChIInChI=1S/C14H19F3O2/c1-6-13(18,14(15,16)17)12-8(2)7-11(19-5)9(3)10(12)4/h7,18H,6H2,1-5H3
InChIKeyVVCRFSNYGQNUJU-UHFFFAOYSA-N
XLogP3.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-2,3,5-trimethyl-4-(trifluoromethyl)benzene
CID 116964846
2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine
CID 116962203
1,1,1-trifluoro-2-(2-methoxy-5-methylphenyl)butan-2-ol
CID 83958038
2-(4-ethoxy-2,3-dimethylphenyl)-1,1,1-trifluorobutan-2-ol
CID 83958906
[2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropyl]urea
CID 115168853
2-(2,5-dimethyl-4-propoxyphenyl)-1,1,1-trifluorobutan-2-ol
CID 83959004
2-(3,5-dichlorophenyl)-1,1,1-trifluorobutan-2-ol
CID 83950177
1-(1,1-difluoropropyl)-4-methoxy-2,3-dimethylbenzene
CID 116841280
3-amino-1,1,1-trifluoro-2-(2-methoxy-4-methylphenyl)propan-2-ol
CID 83919722
ethyl 4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)benzoate
CID 102390043
N-ethyl-4-methoxy-N,2,3,6-tetramethylaniline
CID 115259372
2-(2,5-dimethoxy-3,6-dimethylphenyl)propan-2-amine
CID 117320504

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(4-methoxy-2,3,6-trimethylphenyl)butan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(4-methoxy-2,3,6-trimethylphenyl)butan-2-ol (CID 83958837) is 1,1,1-trifluoro-2-(4-methoxy-2,3,6-trimethylphenyl)butan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(4-methoxy-2,3,6-trimethylphenyl)butan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(4-methoxy-2,3,6-trimethylphenyl)butan-2-ol is CCC(O)(c1c(C)cc(OC)c(C)c1C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(4-methoxy-2,3,6-trimethylphenyl)butan-2-ol?
The InChIKey is VVCRFSNYGQNUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O2/c1-6-13(18,14(15,16)17)12-8(2)7-11(19-5)9(3)10(12)4/h7,18H,6H2,1-5H3.
What are the key properties of 1,1,1-trifluoro-2-(4-methoxy-2,3,6-trimethylphenyl)butan-2-ol?
1,1,1-trifluoro-2-(4-methoxy-2,3,6-trimethylphenyl)butan-2-ol has a molecular weight of 276.30 g/mol, XLogP of 3.78, 3 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-(4-methoxy-2,3,6-trimethylphenyl)butan-2-ol is sourced from PubChem (CID 83958837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).