[3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanol

C11H13F3O3 — CID 64567950

IUPAC[3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanol
SMILESCOc1cccc(CO)c1OCCC(F)(F)F
InChIInChI=1S/C11H13F3O3/c1-16-9-4-2-3-8(7-15)10(9)17-6-5-11(12,13)14/h2-4,15H,5-7H2,1H3
InChIKeyMPVZBQGHVHVYAC-UHFFFAOYSA-N
MW250.22 g/mol
LogP2.52
Rot. Bonds5

About [3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanol

[3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanol (PubChem CID 64567950) has the molecular formula C11H13F3O3 and a molecular weight of 250.22 g/mol. Its IUPAC name is [3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanol
PubChem CID64567950
Molecular FormulaC11H13F3O3
Molecular Weight250.22 g/mol
Exact Mass250.08
IUPAC Name[3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanol
SMILESCOc1cccc(CO)c1OCCC(F)(F)F
InChIInChI=1S/C11H13F3O3/c1-16-9-4-2-3-8(7-15)10(9)17-6-5-11(12,13)14/h2-4,15H,5-7H2,1H3
InChIKeyMPVZBQGHVHVYAC-UHFFFAOYSA-N
XLogP2.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanamine
CID 64552071
[3-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]methanol
CID 103034160
[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methanol
CID 43471611
(3-methoxy-2-nonoxyphenyl)methanol
CID 43471510
[2-(2,2-difluoroethoxy)-3-methoxyphenyl]methanol
CID 60922673
1-[3-methoxy-2-(4,4,4-trifluorobutoxy)phenyl]propan-2-amine
CID 115517719
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 2987070
3-[[2-(hydroxymethyl)-6-methoxyphenoxy]methyl]pentan-3-ol
CID 114494393
[3-ethoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 43366753
2-[2-(hydroxymethyl)-6-methoxyphenoxy]acetamide
CID 964386
[2-(cyclopropylmethoxy)-3-methoxyphenyl]methanol
CID 43560490
3-[2-(hydroxymethyl)-6-methoxyphenoxy]-2,2-dimethylpropanoic acid
CID 79623918

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanol?
The IUPAC name of [3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanol (CID 64567950) is [3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanol.
What is the SMILES notation for [3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanol?
The canonical SMILES for [3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanol is COc1cccc(CO)c1OCCC(F)(F)F.
What is the InChIKey of [3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanol?
The InChIKey is MPVZBQGHVHVYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O3/c1-16-9-4-2-3-8(7-15)10(9)17-6-5-11(12,13)14/h2-4,15H,5-7H2,1H3.
What are the key properties of [3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanol?
[3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanol has a molecular weight of 250.22 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanol is sourced from PubChem (CID 64567950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).