(E)-4-(4-methoxyphenyl)-2-(trifluoromethyl)but-3-en-1-ol

C12H13F3O2 — CID 162418078

IUPAC(E)-4-(4-methoxyphenyl)-2-(trifluoromethyl)but-3-en-1-ol
SMILESCOc1ccc(/C=C/C(CO)C(F)(F)F)cc1
InChIInChI=1S/C12H13F3O2/c1-17-11-6-3-9(4-7-11)2-5-10(8-16)12(13,14)15/h2-7,10,16H,8H2,1H3/b5-2+
InChIKeyOYOVKDRIFOOJKB-GORDUTHDSA-N
MW246.23 g/mol
LogP2.88
Rot. Bonds4

About (E)-4-(4-methoxyphenyl)-2-(trifluoromethyl)but-3-en-1-ol

(E)-4-(4-methoxyphenyl)-2-(trifluoromethyl)but-3-en-1-ol (PubChem CID 162418078) has the molecular formula C12H13F3O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is (E)-4-(4-methoxyphenyl)-2-(trifluoromethyl)but-3-en-1-ol.

Molecular Properties

Compound Name(E)-4-(4-methoxyphenyl)-2-(trifluoromethyl)but-3-en-1-ol
PubChem CID162418078
Molecular FormulaC12H13F3O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name(E)-4-(4-methoxyphenyl)-2-(trifluoromethyl)but-3-en-1-ol
SMILESCOc1ccc(/C=C/C(CO)C(F)(F)F)cc1
InChIInChI=1S/C12H13F3O2/c1-17-11-6-3-9(4-7-11)2-5-10(8-16)12(13,14)15/h2-7,10,16H,8H2,1H3/b5-2+
InChIKeyOYOVKDRIFOOJKB-GORDUTHDSA-N
XLogP2.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-(4-methoxyphenyl)prop-2-ene-1,1-diol
CID 88979121
(E,2S)-1-chloro-4-(4-methoxyphenyl)but-3-en-2-ol
CID 102199471
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-(4-methoxyphenyl)hexa-1,5-dien-3-ol
CID 53401972
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
1-methoxy-4-[(E)-3-[(2-methylpropan-2-yl)oxy]but-1-enyl]benzene
CID 14939551
1-methoxy-4-[(1E)-1-(4-methoxyphenyl)-5-methylhexa-1,5-dien-3-yl]benzene
CID 56837291
(E)-1-(diethylamino)-4-(4-methoxyphenyl)but-3-en-2-ol
CID 6366807
(Z)-4-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)but-3-en-2-ol
CID 24842156
(2E,4E)-5-(4-methoxyphenyl)penta-2,4-dien-1-ol
CID 2253109
3-(4-tert-butylphenyl)-1-(4-methoxyphenyl)prop-2-en-1-ol
CID 78103173
(E)-2-amino-4-(4-methoxyphenyl)but-3-enoic acid
CID 105460059

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-methoxyphenyl)-2-(trifluoromethyl)but-3-en-1-ol?
The IUPAC name of (E)-4-(4-methoxyphenyl)-2-(trifluoromethyl)but-3-en-1-ol (CID 162418078) is (E)-4-(4-methoxyphenyl)-2-(trifluoromethyl)but-3-en-1-ol.
What is the SMILES notation for (E)-4-(4-methoxyphenyl)-2-(trifluoromethyl)but-3-en-1-ol?
The canonical SMILES for (E)-4-(4-methoxyphenyl)-2-(trifluoromethyl)but-3-en-1-ol is COc1ccc(/C=C/C(CO)C(F)(F)F)cc1.
What is the InChIKey of (E)-4-(4-methoxyphenyl)-2-(trifluoromethyl)but-3-en-1-ol?
The InChIKey is OYOVKDRIFOOJKB-GORDUTHDSA-N. The full InChI is InChI=1S/C12H13F3O2/c1-17-11-6-3-9(4-7-11)2-5-10(8-16)12(13,14)15/h2-7,10,16H,8H2,1H3/b5-2+.
What are the key properties of (E)-4-(4-methoxyphenyl)-2-(trifluoromethyl)but-3-en-1-ol?
(E)-4-(4-methoxyphenyl)-2-(trifluoromethyl)but-3-en-1-ol has a molecular weight of 246.23 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-methoxyphenyl)-2-(trifluoromethyl)but-3-en-1-ol is sourced from PubChem (CID 162418078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).