(2E)-7-methyl-1-phenyl-3-(trifluoromethyl)octa-2,6-dien-1-ol

C16H19F3O — CID 102103946

IUPAC(2E)-7-methyl-1-phenyl-3-(trifluoromethyl)octa-2,6-dien-1-ol
SMILESCC(C)=CCC/C(=C\C(O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H19F3O/c1-12(2)7-6-10-14(16(17,18)19)11-15(20)13-8-4-3-5-9-13/h3-5,7-9,11,15,20H,6,10H2,1-2H3/b14-11+
InChIKeyNVVVDAUGZMVJNW-SDNWHVSQSA-N
MW284.32 g/mol
LogP4.96
Rot. Bonds5

About (2E)-7-methyl-1-phenyl-3-(trifluoromethyl)octa-2,6-dien-1-ol

(2E)-7-methyl-1-phenyl-3-(trifluoromethyl)octa-2,6-dien-1-ol (PubChem CID 102103946) has the molecular formula C16H19F3O and a molecular weight of 284.32 g/mol. Its IUPAC name is (2E)-7-methyl-1-phenyl-3-(trifluoromethyl)octa-2,6-dien-1-ol.

Molecular Properties

Compound Name(2E)-7-methyl-1-phenyl-3-(trifluoromethyl)octa-2,6-dien-1-ol
PubChem CID102103946
Molecular FormulaC16H19F3O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name(2E)-7-methyl-1-phenyl-3-(trifluoromethyl)octa-2,6-dien-1-ol
SMILESCC(C)=CCC/C(=C\C(O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H19F3O/c1-12(2)7-6-10-14(16(17,18)19)11-15(20)13-8-4-3-5-9-13/h3-5,7-9,11,15,20H,6,10H2,1-2H3/b14-11+
InChIKeyNVVVDAUGZMVJNW-SDNWHVSQSA-N
XLogP4.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3Z)-4,8-dimethyl-1-phenylnona-3,7-dien-1-ol
CID 14027932
(Z)-4,4,4-trifluoro-1,3-diphenylbut-2-en-1-ol
CID 15517209
(3E)-4-(2-hydroxy-2-phenylethyl)-8-methylnona-3,7-dien-2-one
CID 101247587
ethane;[(6E,10E)-7,11,15-trimethylhexadeca-3,6,10,14-tetraen-2-yl]benzene
CID 158695222
(1R,2S)-2-ethenyl-2,6-dimethyl-1-phenylhept-5-en-1-ol
CID 12809100
(5E)-6,10-dimethyl-1-phenylundeca-5,9-dien-4-ol
CID 71663930
(Z)-4,4,4-trifluoro-3-(4-methoxyphenyl)-1-phenylbut-2-en-1-ol
CID 177392533
[(2E)-3,7-dimethyl-1-phenoxyocta-2,6-dienoxy]benzene
CID 70357331
(3E)-1,1,1-trifluoro-4,8-dimethylnona-3,7-dien-2-ol
CID 56942415
3-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)but-2-en-1-amine
CID 103913358
2,2-difluoro-1-phenylbutan-1-ol
CID 15783630
3-methyl-1-[3-(trifluoromethyl)phenyl]but-2-en-1-ol
CID 59652784

Frequently Asked Questions

What is the IUPAC name of (2E)-7-methyl-1-phenyl-3-(trifluoromethyl)octa-2,6-dien-1-ol?
The IUPAC name of (2E)-7-methyl-1-phenyl-3-(trifluoromethyl)octa-2,6-dien-1-ol (CID 102103946) is (2E)-7-methyl-1-phenyl-3-(trifluoromethyl)octa-2,6-dien-1-ol.
What is the SMILES notation for (2E)-7-methyl-1-phenyl-3-(trifluoromethyl)octa-2,6-dien-1-ol?
The canonical SMILES for (2E)-7-methyl-1-phenyl-3-(trifluoromethyl)octa-2,6-dien-1-ol is CC(C)=CCC/C(=C\C(O)c1ccccc1)C(F)(F)F.
What is the InChIKey of (2E)-7-methyl-1-phenyl-3-(trifluoromethyl)octa-2,6-dien-1-ol?
The InChIKey is NVVVDAUGZMVJNW-SDNWHVSQSA-N. The full InChI is InChI=1S/C16H19F3O/c1-12(2)7-6-10-14(16(17,18)19)11-15(20)13-8-4-3-5-9-13/h3-5,7-9,11,15,20H,6,10H2,1-2H3/b14-11+.
What are the key properties of (2E)-7-methyl-1-phenyl-3-(trifluoromethyl)octa-2,6-dien-1-ol?
(2E)-7-methyl-1-phenyl-3-(trifluoromethyl)octa-2,6-dien-1-ol has a molecular weight of 284.32 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-7-methyl-1-phenyl-3-(trifluoromethyl)octa-2,6-dien-1-ol is sourced from PubChem (CID 102103946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).