6,6,6-trifluoro-5-(2-methoxyphenyl)-3-methylhex-1-en-3-ol

C14H17F3O2 — CID 101034644

IUPAC6,6,6-trifluoro-5-(2-methoxyphenyl)-3-methylhex-1-en-3-ol
SMILESC=CC(C)(O)CC(c1ccccc1OC)C(F)(F)F
InChIInChI=1S/C14H17F3O2/c1-4-13(2,18)9-11(14(15,16)17)10-7-5-6-8-12(10)19-3/h4-8,11,18H,1,9H2,2-3H3
InChIKeyQRYPSWMKILDZIF-UHFFFAOYSA-N
MW274.28 g/mol
LogP3.67
Rot. Bonds5

About 6,6,6-trifluoro-5-(2-methoxyphenyl)-3-methylhex-1-en-3-ol

6,6,6-trifluoro-5-(2-methoxyphenyl)-3-methylhex-1-en-3-ol (PubChem CID 101034644) has the molecular formula C14H17F3O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 6,6,6-trifluoro-5-(2-methoxyphenyl)-3-methylhex-1-en-3-ol.

Molecular Properties

Compound Name6,6,6-trifluoro-5-(2-methoxyphenyl)-3-methylhex-1-en-3-ol
PubChem CID101034644
Molecular FormulaC14H17F3O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name6,6,6-trifluoro-5-(2-methoxyphenyl)-3-methylhex-1-en-3-ol
SMILESC=CC(C)(O)CC(c1ccccc1OC)C(F)(F)F
InChIInChI=1S/C14H17F3O2/c1-4-13(2,18)9-11(14(15,16)17)10-7-5-6-8-12(10)19-3/h4-8,11,18H,1,9H2,2-3H3
InChIKeyQRYPSWMKILDZIF-UHFFFAOYSA-N
XLogP3.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4,4,4-trifluoro-3-(2-methoxyphenyl)butanoate
CID 177219164
5-(2-methoxyphenyl)-3-methylpent-1-en-3-ol
CID 10104442
(1R)-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 171200452
(1S)-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 171219989
(2R)-2-(2-methoxyphenyl)but-3-en-2-ol
CID 124509510
3,4,4,4-tetrafluoro-1-(2-methoxyphenyl)-3-(trifluoromethyl)butan-1-ol
CID 156764449
1-(2-methoxyphenyl)pent-4-en-1-amine
CID 15884723
(1S)-1-(2-methoxyphenyl)propane-1,3-diamine
CID 171219974
3,3,3-trifluoro-2-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 82534391
1-methoxy-2-(2,2,4,4-tetramethylpentan-3-yl)benzene
CID 173474378
(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 51699599
3,3,3-trifluoro-1-(2-methoxyphenyl)-2-(trifluoromethyl)propan-1-amine
CID 103311703

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-5-(2-methoxyphenyl)-3-methylhex-1-en-3-ol?
The IUPAC name of 6,6,6-trifluoro-5-(2-methoxyphenyl)-3-methylhex-1-en-3-ol (CID 101034644) is 6,6,6-trifluoro-5-(2-methoxyphenyl)-3-methylhex-1-en-3-ol.
What is the SMILES notation for 6,6,6-trifluoro-5-(2-methoxyphenyl)-3-methylhex-1-en-3-ol?
The canonical SMILES for 6,6,6-trifluoro-5-(2-methoxyphenyl)-3-methylhex-1-en-3-ol is C=CC(C)(O)CC(c1ccccc1OC)C(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-5-(2-methoxyphenyl)-3-methylhex-1-en-3-ol?
The InChIKey is QRYPSWMKILDZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O2/c1-4-13(2,18)9-11(14(15,16)17)10-7-5-6-8-12(10)19-3/h4-8,11,18H,1,9H2,2-3H3.
What are the key properties of 6,6,6-trifluoro-5-(2-methoxyphenyl)-3-methylhex-1-en-3-ol?
6,6,6-trifluoro-5-(2-methoxyphenyl)-3-methylhex-1-en-3-ol has a molecular weight of 274.28 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-5-(2-methoxyphenyl)-3-methylhex-1-en-3-ol is sourced from PubChem (CID 101034644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).