(E)-3-[3-[[3,5-bis(trifluoromethyl)phenoxy]methyl]phenyl]but-2-en-1-ol

C19H16F6O2 — CID 10739135

IUPAC(E)-3-[3-[[3,5-bis(trifluoromethyl)phenoxy]methyl]phenyl]but-2-en-1-ol
SMILESC/C(=C\CO)c1cccc(COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H16F6O2/c1-12(5-6-26)14-4-2-3-13(7-14)11-27-17-9-15(18(20,21)22)8-16(10-17)19(23,24)25/h2-5,7-10,26H,6,11H2,1H3/b12-5+
InChIKeyYALXTCMMRYDDRB-LFYBBSHMSA-N
MW390.32 g/mol
LogP5.70
Rot. Bonds5

About (E)-3-[3-[[3,5-bis(trifluoromethyl)phenoxy]methyl]phenyl]but-2-en-1-ol

(E)-3-[3-[[3,5-bis(trifluoromethyl)phenoxy]methyl]phenyl]but-2-en-1-ol (PubChem CID 10739135) has the molecular formula C19H16F6O2 and a molecular weight of 390.32 g/mol. Its IUPAC name is (E)-3-[3-[[3,5-bis(trifluoromethyl)phenoxy]methyl]phenyl]but-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[3-[[3,5-bis(trifluoromethyl)phenoxy]methyl]phenyl]but-2-en-1-ol
PubChem CID10739135
Molecular FormulaC19H16F6O2
Molecular Weight390.32 g/mol
Exact Mass390.11
IUPAC Name(E)-3-[3-[[3,5-bis(trifluoromethyl)phenoxy]methyl]phenyl]but-2-en-1-ol
SMILESC/C(=C\CO)c1cccc(COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H16F6O2/c1-12(5-6-26)14-4-2-3-13(7-14)11-27-17-9-15(18(20,21)22)8-16(10-17)19(23,24)25/h2-5,7-10,26H,6,11H2,1H3/b12-5+
InChIKeyYALXTCMMRYDDRB-LFYBBSHMSA-N
XLogP5.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.32
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (E)-3-[3-[[3,5-bis(trifluoromethyl)phenoxy]methyl]phenyl]but-2-enoate
CID 10502839
N-[(E)-3-[4-[[3,5-bis(trifluoromethyl)phenoxy]methyl]phenyl]but-2-enyl]hydroxylamine
CID 134927270
(E)-3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]but-2-en-1-ol
CID 20765801
3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]but-2-en-1-ol
CID 91173371
(E)-3-[3-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-en-1-ol
CID 10620366
3-[[3-(trifluoromethyl)phenyl]methoxy]benzenecarbothioamide
CID 29016770
1-[3-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanone
CID 161096895
1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 91656323
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880
methyl 2-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]acetate
CID 173335814
1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627887
3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol
CID 15059584

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-[[3,5-bis(trifluoromethyl)phenoxy]methyl]phenyl]but-2-en-1-ol?
The IUPAC name of (E)-3-[3-[[3,5-bis(trifluoromethyl)phenoxy]methyl]phenyl]but-2-en-1-ol (CID 10739135) is (E)-3-[3-[[3,5-bis(trifluoromethyl)phenoxy]methyl]phenyl]but-2-en-1-ol.
What is the SMILES notation for (E)-3-[3-[[3,5-bis(trifluoromethyl)phenoxy]methyl]phenyl]but-2-en-1-ol?
The canonical SMILES for (E)-3-[3-[[3,5-bis(trifluoromethyl)phenoxy]methyl]phenyl]but-2-en-1-ol is C/C(=C\CO)c1cccc(COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.
What is the InChIKey of (E)-3-[3-[[3,5-bis(trifluoromethyl)phenoxy]methyl]phenyl]but-2-en-1-ol?
The InChIKey is YALXTCMMRYDDRB-LFYBBSHMSA-N. The full InChI is InChI=1S/C19H16F6O2/c1-12(5-6-26)14-4-2-3-13(7-14)11-27-17-9-15(18(20,21)22)8-16(10-17)19(23,24)25/h2-5,7-10,26H,6,11H2,1H3/b12-5+.
What are the key properties of (E)-3-[3-[[3,5-bis(trifluoromethyl)phenoxy]methyl]phenyl]but-2-en-1-ol?
(E)-3-[3-[[3,5-bis(trifluoromethyl)phenoxy]methyl]phenyl]but-2-en-1-ol has a molecular weight of 390.32 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-[[3,5-bis(trifluoromethyl)phenoxy]methyl]phenyl]but-2-en-1-ol is sourced from PubChem (CID 10739135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).