2-(1-methoxyhex-5-enyl)-4-(trifluoromethyl)phenol

C14H17F3O2 — CID 11369349

IUPAC2-(1-methoxyhex-5-enyl)-4-(trifluoromethyl)phenol
SMILESC=CCCCC(OC)c1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C14H17F3O2/c1-3-4-5-6-13(19-2)11-9-10(14(15,16)17)7-8-12(11)18/h3,7-9,13,18H,1,4-6H2,2H3
InChIKeySEODZADGVNJRFX-UHFFFAOYSA-N
MW274.28 g/mol
LogP4.45
Rot. Bonds6

About 2-(1-methoxyhex-5-enyl)-4-(trifluoromethyl)phenol

2-(1-methoxyhex-5-enyl)-4-(trifluoromethyl)phenol (PubChem CID 11369349) has the molecular formula C14H17F3O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-(1-methoxyhex-5-enyl)-4-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(1-methoxyhex-5-enyl)-4-(trifluoromethyl)phenol
PubChem CID11369349
Molecular FormulaC14H17F3O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name2-(1-methoxyhex-5-enyl)-4-(trifluoromethyl)phenol
SMILESC=CCCCC(OC)c1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C14H17F3O2/c1-3-4-5-6-13(19-2)11-9-10(14(15,16)17)7-8-12(11)18/h3,7-9,13,18H,1,4-6H2,2H3
InChIKeySEODZADGVNJRFX-UHFFFAOYSA-N
XLogP4.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyhex-5-enyl)-4-(trifluoromethyl)phenol?
The IUPAC name of 2-(1-methoxyhex-5-enyl)-4-(trifluoromethyl)phenol (CID 11369349) is 2-(1-methoxyhex-5-enyl)-4-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(1-methoxyhex-5-enyl)-4-(trifluoromethyl)phenol?
The canonical SMILES for 2-(1-methoxyhex-5-enyl)-4-(trifluoromethyl)phenol is C=CCCCC(OC)c1cc(C(F)(F)F)ccc1O.
What is the InChIKey of 2-(1-methoxyhex-5-enyl)-4-(trifluoromethyl)phenol?
The InChIKey is SEODZADGVNJRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O2/c1-3-4-5-6-13(19-2)11-9-10(14(15,16)17)7-8-12(11)18/h3,7-9,13,18H,1,4-6H2,2H3.
What are the key properties of 2-(1-methoxyhex-5-enyl)-4-(trifluoromethyl)phenol?
2-(1-methoxyhex-5-enyl)-4-(trifluoromethyl)phenol has a molecular weight of 274.28 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyhex-5-enyl)-4-(trifluoromethyl)phenol is sourced from PubChem (CID 11369349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).