2-(2,4,5-trifluoro-3-methoxyphenyl)propan-2-ol

C10H11F3O2 — CID 117113957

IUPAC2-(2,4,5-trifluoro-3-methoxyphenyl)propan-2-ol
SMILESCOc1c(F)c(F)cc(C(C)(C)O)c1F
InChIInChI=1S/C10H11F3O2/c1-10(2,14)5-4-6(11)8(13)9(15-3)7(5)12/h4,14H,1-3H3
InChIKeyZBMXOEFUUAYSGP-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.34
Rot. Bonds2

About 2-(2,4,5-trifluoro-3-methoxyphenyl)propan-2-ol

2-(2,4,5-trifluoro-3-methoxyphenyl)propan-2-ol (PubChem CID 117113957) has the molecular formula C10H11F3O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is 2-(2,4,5-trifluoro-3-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(2,4,5-trifluoro-3-methoxyphenyl)propan-2-ol
PubChem CID117113957
Molecular FormulaC10H11F3O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name2-(2,4,5-trifluoro-3-methoxyphenyl)propan-2-ol
SMILESCOc1c(F)c(F)cc(C(C)(C)O)c1F
InChIInChI=1S/C10H11F3O2/c1-10(2,14)5-4-6(11)8(13)9(15-3)7(5)12/h4,14H,1-3H3
InChIKeyZBMXOEFUUAYSGP-UHFFFAOYSA-N
XLogP2.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-2,4-difluoro-3-methoxyphenyl)propan-2-ol
CID 84715079
2-(3,5-difluoro-4-methoxy-2-methylphenyl)propan-2-ol;ethane
CID 178095576
2-(5-bromo-2,3-difluoro-4-methoxyphenyl)propan-2-ol
CID 84715078
2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol
CID 84706691
2-fluoro-3-(2-hydroxypropan-2-yl)-6-methoxy-5-methylphenol
CID 117305491
2-(4,5-difluoro-2-methoxyphenyl)propan-2-ol
CID 84670502
2-(2,4,5-trifluoro-3-methoxyphenyl)propan-1-ol
CID 117113623
1,2,4-trifluoro-3,5-dimethoxybenzene
CID 10535733
3-fluoro-6-(2-hydroxypropan-2-yl)-2-methoxyphenol
CID 84669345
2-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrobromide
CID 84711385
2-(3-chloro-2-fluoro-5-methoxyphenyl)propan-2-ol
CID 84684226
2-(4-bromo-3-fluoro-2-methoxyphenyl)propan-2-ol
CID 84711006

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,5-trifluoro-3-methoxyphenyl)propan-2-ol?
The IUPAC name of 2-(2,4,5-trifluoro-3-methoxyphenyl)propan-2-ol (CID 117113957) is 2-(2,4,5-trifluoro-3-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 2-(2,4,5-trifluoro-3-methoxyphenyl)propan-2-ol?
The canonical SMILES for 2-(2,4,5-trifluoro-3-methoxyphenyl)propan-2-ol is COc1c(F)c(F)cc(C(C)(C)O)c1F.
What is the InChIKey of 2-(2,4,5-trifluoro-3-methoxyphenyl)propan-2-ol?
The InChIKey is ZBMXOEFUUAYSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O2/c1-10(2,14)5-4-6(11)8(13)9(15-3)7(5)12/h4,14H,1-3H3.
What are the key properties of 2-(2,4,5-trifluoro-3-methoxyphenyl)propan-2-ol?
2-(2,4,5-trifluoro-3-methoxyphenyl)propan-2-ol has a molecular weight of 220.19 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,5-trifluoro-3-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 117113957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).