6-[[3-(trifluoromethyl)phenyl]methoxy]non-8-ene-1,2,3,4,5-pentol

C17H23F3O6 — CID 174797127

IUPAC6-[[3-(trifluoromethyl)phenyl]methoxy]non-8-ene-1,2,3,4,5-pentol
SMILESC=CCC(OCc1cccc(C(F)(F)F)c1)C(O)C(O)C(O)C(O)CO
InChIInChI=1S/C17H23F3O6/c1-2-4-13(15(24)16(25)14(23)12(22)8-21)26-9-10-5-3-6-11(7-10)17(18,19)20/h2-3,5-7,12-16,21-25H,1,4,8-9H2
InChIKeyDROCTHXEIXFSKW-UHFFFAOYSA-N
MW380.36 g/mol
LogP0.60
Rot. Bonds10

About 6-[[3-(trifluoromethyl)phenyl]methoxy]non-8-ene-1,2,3,4,5-pentol

6-[[3-(trifluoromethyl)phenyl]methoxy]non-8-ene-1,2,3,4,5-pentol (PubChem CID 174797127) has the molecular formula C17H23F3O6 and a molecular weight of 380.36 g/mol. Its IUPAC name is 6-[[3-(trifluoromethyl)phenyl]methoxy]non-8-ene-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-[[3-(trifluoromethyl)phenyl]methoxy]non-8-ene-1,2,3,4,5-pentol
PubChem CID174797127
Molecular FormulaC17H23F3O6
Molecular Weight380.36 g/mol
Exact Mass380.14
IUPAC Name6-[[3-(trifluoromethyl)phenyl]methoxy]non-8-ene-1,2,3,4,5-pentol
SMILESC=CCC(OCc1cccc(C(F)(F)F)c1)C(O)C(O)C(O)C(O)CO
InChIInChI=1S/C17H23F3O6/c1-2-4-13(15(24)16(25)14(23)12(22)8-21)26-9-10-5-3-6-11(7-10)17(18,19)20/h2-3,5-7,12-16,21-25H,1,4,8-9H2
InChIKeyDROCTHXEIXFSKW-UHFFFAOYSA-N
XLogP0.60
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 50.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-4-[[3-(trifluoromethyl)phenyl]methoxy]butan-1-ol
CID 175116158
1-[[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]amino]prop-2-en-1-ol
CID 166925048
3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 79617375
1-[[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,4-bis(prop-2-enoxy)butan-2-yl]oxymethyl]-3,5-bis(trifluoromethyl)benzene
CID 11479327
2-chloro-4,4-difluoro-5-[3-(trifluoromethyl)phenyl]pent-1-en-3-ol
CID 54568761
6-[(3,4,5-trimethoxyphenyl)methoxy]dec-8-ene-1,2,3,4,5-pentol
CID 174797134
2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-ol
CID 66058572
3-ethoxy-4,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-ol
CID 116713333
N-[[3-(trifluoromethyl)phenyl]methoxy]methanamine
CID 22356645
1,1,1-trifluoropent-4-en-2-yloxymethylbenzene
CID 175434069
1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanol
CID 43503898
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(trifluoromethyl)phenyl]methoxy]non-8-ene-1,2,3,4,5-pentol?
The IUPAC name of 6-[[3-(trifluoromethyl)phenyl]methoxy]non-8-ene-1,2,3,4,5-pentol (CID 174797127) is 6-[[3-(trifluoromethyl)phenyl]methoxy]non-8-ene-1,2,3,4,5-pentol.
What is the SMILES notation for 6-[[3-(trifluoromethyl)phenyl]methoxy]non-8-ene-1,2,3,4,5-pentol?
The canonical SMILES for 6-[[3-(trifluoromethyl)phenyl]methoxy]non-8-ene-1,2,3,4,5-pentol is C=CCC(OCc1cccc(C(F)(F)F)c1)C(O)C(O)C(O)C(O)CO.
What is the InChIKey of 6-[[3-(trifluoromethyl)phenyl]methoxy]non-8-ene-1,2,3,4,5-pentol?
The InChIKey is DROCTHXEIXFSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3O6/c1-2-4-13(15(24)16(25)14(23)12(22)8-21)26-9-10-5-3-6-11(7-10)17(18,19)20/h2-3,5-7,12-16,21-25H,1,4,8-9H2.
What are the key properties of 6-[[3-(trifluoromethyl)phenyl]methoxy]non-8-ene-1,2,3,4,5-pentol?
6-[[3-(trifluoromethyl)phenyl]methoxy]non-8-ene-1,2,3,4,5-pentol has a molecular weight of 380.36 g/mol, XLogP of 0.60, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(trifluoromethyl)phenyl]methoxy]non-8-ene-1,2,3,4,5-pentol is sourced from PubChem (CID 174797127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).