[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol

C10H11F3O3 — CID 43268000

IUPAC[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol
SMILESCOc1ccc(OCC(F)(F)F)c(CO)c1
InChIInChI=1S/C10H11F3O3/c1-15-8-2-3-9(7(4-8)5-14)16-6-10(11,12)13/h2-4,14H,5-6H2,1H3
InChIKeyBHMBXIXPEVDTTL-UHFFFAOYSA-N
MW236.19 g/mol
LogP2.13
Rot. Bonds4

About [5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol

[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol (PubChem CID 43268000) has the molecular formula C10H11F3O3 and a molecular weight of 236.19 g/mol. Its IUPAC name is [5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol
PubChem CID43268000
Molecular FormulaC10H11F3O3
Molecular Weight236.19 g/mol
Exact Mass236.07
IUPAC Name[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol
SMILESCOc1ccc(OCC(F)(F)F)c(CO)c1
InChIInChI=1S/C10H11F3O3/c1-15-8-2-3-9(7(4-8)5-14)16-6-10(11,12)13/h2-4,14H,5-6H2,1H3
InChIKeyBHMBXIXPEVDTTL-UHFFFAOYSA-N
XLogP2.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-2-(2,2,2-trifluoroethoxy)aniline
CID 16777766
methyl 3-(hydroxymethyl)-4-(2,2,2-trifluoroethoxy)benzoate
CID 138986364
[5-methoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanol
CID 112590012
1-[2-(hydroxymethyl)-4-methoxyphenoxy]butan-2-ol
CID 60886437
1-[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]ethanone
CID 166624623
[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-trimethylsilane
CID 121001825
(2-but-3-ynoxy-5-methoxyphenyl)methanol
CID 43268037
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylethanone
CID 43268016
4-[2-(hydroxymethyl)-4-methoxyphenoxy]butanenitrile
CID 43267979
[5-methoxy-2-(2-methylsulfonylethoxy)phenyl]methanol
CID 60915794
N-[[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056447
[2-[2-(diethylamino)ethoxy]-5-methoxyphenyl]methanol
CID 43267964

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol?
The IUPAC name of [5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol (CID 43268000) is [5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol.
What is the SMILES notation for [5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol?
The canonical SMILES for [5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol is COc1ccc(OCC(F)(F)F)c(CO)c1.
What is the InChIKey of [5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol?
The InChIKey is BHMBXIXPEVDTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O3/c1-15-8-2-3-9(7(4-8)5-14)16-6-10(11,12)13/h2-4,14H,5-6H2,1H3.
What are the key properties of [5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol?
[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol has a molecular weight of 236.19 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol is sourced from PubChem (CID 43268000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).