4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-1-ol

C12H13F3O — CID 170477031

IUPAC4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-1-ol
SMILESCc1ccc(C=CCCO)cc1C(F)(F)F
InChIInChI=1S/C12H13F3O/c1-9-5-6-10(4-2-3-7-16)8-11(9)12(13,14)15/h2,4-6,8,16H,3,7H2,1H3
InChIKeyQZYPQLXGFXCQST-UHFFFAOYSA-N
MW230.23 g/mol
LogP3.41
Rot. Bonds3

About 4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-1-ol

4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-1-ol (PubChem CID 170477031) has the molecular formula C12H13F3O and a molecular weight of 230.23 g/mol. Its IUPAC name is 4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-1-ol.

Molecular Properties

Compound Name4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-1-ol
PubChem CID170477031
Molecular FormulaC12H13F3O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-1-ol
SMILESCc1ccc(C=CCCO)cc1C(F)(F)F
InChIInChI=1S/C12H13F3O/c1-9-5-6-10(4-2-3-7-16)8-11(9)12(13,14)15/h2,4-6,8,16H,3,7H2,1H3
InChIKeyQZYPQLXGFXCQST-UHFFFAOYSA-N
XLogP3.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 170487396
N-[4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide
CID 170489158
(Z)-4-[3,5-bis(trifluoromethyl)phenyl]but-3-en-1-ol
CID 118168632
(E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylbut-3-en-1-amine
CID 107290638
2-fluoro-5-(4-hydroxybut-1-enyl)phenol
CID 170476152
4-(4-bromobut-1-enyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 170497926
S-[4-[4-fluoro-3-(trifluoromethyl)phenyl]but-3-enyl] ethanethioate
CID 170480609
4-[4-bromo-3-(trifluoromethyl)phenyl]but-3-ene-1-thiol
CID 170479442
tert-butyl N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]but-3-enyl]carbamate
CID 170490954
(E)-3-(3,4-dimethylphenyl)prop-2-en-1-ol
CID 21017863
4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-en-1-ol
CID 170476886
4-naphthalen-2-ylbut-3-en-1-ol
CID 54291326

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-1-ol?
The IUPAC name of 4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-1-ol (CID 170477031) is 4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-1-ol.
What is the SMILES notation for 4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-1-ol?
The canonical SMILES for 4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-1-ol is Cc1ccc(C=CCCO)cc1C(F)(F)F.
What is the InChIKey of 4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-1-ol?
The InChIKey is QZYPQLXGFXCQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O/c1-9-5-6-10(4-2-3-7-16)8-11(9)12(13,14)15/h2,4-6,8,16H,3,7H2,1H3.
What are the key properties of 4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-1-ol?
4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-1-ol has a molecular weight of 230.23 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-1-ol is sourced from PubChem (CID 170477031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).