1-(2,3-dimethoxyphenyl)-5,5,5-trifluoropentan-1-ol

C13H17F3O3 — CID 115515400

IUPAC1-(2,3-dimethoxyphenyl)-5,5,5-trifluoropentan-1-ol
SMILESCOc1cccc(C(O)CCCC(F)(F)F)c1OC
InChIInChI=1S/C13H17F3O3/c1-18-11-7-3-5-9(12(11)19-2)10(17)6-4-8-13(14,15)16/h3,5,7,10,17H,4,6,8H2,1-2H3
InChIKeyLMVIBNYELLJAPH-UHFFFAOYSA-N
MW278.27 g/mol
LogP3.47
Rot. Bonds6

About 1-(2,3-dimethoxyphenyl)-5,5,5-trifluoropentan-1-ol

1-(2,3-dimethoxyphenyl)-5,5,5-trifluoropentan-1-ol (PubChem CID 115515400) has the molecular formula C13H17F3O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-5,5,5-trifluoropentan-1-ol.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-5,5,5-trifluoropentan-1-ol
PubChem CID115515400
Molecular FormulaC13H17F3O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC Name1-(2,3-dimethoxyphenyl)-5,5,5-trifluoropentan-1-ol
SMILESCOc1cccc(C(O)CCCC(F)(F)F)c1OC
InChIInChI=1S/C13H17F3O3/c1-18-11-7-3-5-9(12(11)19-2)10(17)6-4-8-13(14,15)16/h3,5,7,10,17H,4,6,8H2,1-2H3
InChIKeyLMVIBNYELLJAPH-UHFFFAOYSA-N
XLogP3.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2,3-dimethoxyphenyl)octan-1-ol
CID 124562849
1-(2-amino-3-methoxyphenyl)-4,4,4-trifluorobutan-1-ol
CID 107469294
1-(2,3-dimethoxyphenyl)hex-5-yn-1-ol
CID 113374232
5,5,5-trifluoro-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol
CID 115515453
1-(2,3-dimethoxyphenyl)-3-methylpentan-1-ol
CID 65151048
(1R)-1-(2,3-dimethoxyphenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-1-ol
CID 13460352
1-(2,3-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine
CID 112693542
1-(2,3-dimethoxyphenyl)-2-ethoxyethanol
CID 79567811
1-(2,3-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-ol
CID 65150953
methyl 2-(2,3-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 60997634
3,3,3-trifluoro-1-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 61082565
1-(2,3-dimethoxyphenyl)-2-propoxyethanol
CID 79567810

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-5,5,5-trifluoropentan-1-ol?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-5,5,5-trifluoropentan-1-ol (CID 115515400) is 1-(2,3-dimethoxyphenyl)-5,5,5-trifluoropentan-1-ol.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-5,5,5-trifluoropentan-1-ol?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-5,5,5-trifluoropentan-1-ol is COc1cccc(C(O)CCCC(F)(F)F)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-5,5,5-trifluoropentan-1-ol?
The InChIKey is LMVIBNYELLJAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3O3/c1-18-11-7-3-5-9(12(11)19-2)10(17)6-4-8-13(14,15)16/h3,5,7,10,17H,4,6,8H2,1-2H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-5,5,5-trifluoropentan-1-ol?
1-(2,3-dimethoxyphenyl)-5,5,5-trifluoropentan-1-ol has a molecular weight of 278.27 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-5,5,5-trifluoropentan-1-ol is sourced from PubChem (CID 115515400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).