2-(2,4,5-trifluoro-3-methoxyphenyl)propan-1-ol

C10H11F3O2 — CID 117113623

IUPAC2-(2,4,5-trifluoro-3-methoxyphenyl)propan-1-ol
SMILESCOc1c(F)c(F)cc(C(C)CO)c1F
InChIInChI=1S/C10H11F3O2/c1-5(4-14)6-3-7(11)9(13)10(15-2)8(6)12/h3,5,14H,4H2,1-2H3
InChIKeyMNDCTTCENZDLIR-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.21
Rot. Bonds3

About 2-(2,4,5-trifluoro-3-methoxyphenyl)propan-1-ol

2-(2,4,5-trifluoro-3-methoxyphenyl)propan-1-ol (PubChem CID 117113623) 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-1-ol.

Molecular Properties

Compound Name2-(2,4,5-trifluoro-3-methoxyphenyl)propan-1-ol
PubChem CID117113623
Molecular FormulaC10H11F3O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name2-(2,4,5-trifluoro-3-methoxyphenyl)propan-1-ol
SMILESCOc1c(F)c(F)cc(C(C)CO)c1F
InChIInChI=1S/C10H11F3O2/c1-5(4-14)6-3-7(11)9(13)10(15-2)8(6)12/h3,5,14H,4H2,1-2H3
InChIKeyMNDCTTCENZDLIR-UHFFFAOYSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.21
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-(3-chloro-2,4,5-trifluorophenyl)propan-1-ol
CID 117113620
2-(2,3,5-trifluorophenyl)propan-1-ol
CID 59218730
2-(5-chloro-3,4-difluoro-2-methoxyphenyl)propan-1-ol
CID 117345755
3-amino-3-(2,4,5-trifluoro-3-methoxyphenyl)propanoic acid
CID 117115911
2-(2,4,5-trifluoro-3-methoxyphenyl)propan-2-ol
CID 117113957
[2-fluoro-4-[(2R)-1-hydroxypropan-2-yl]-5-methoxyphenyl]boronic acid
CID 123951308
2-(3-fluoro-2-methoxy-5-nitrophenyl)propan-1-ol
CID 117329910
2-(3-fluoro-4-methoxy-5-methylphenyl)propan-1-ol
CID 117287969
2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol
CID 117378642
ethane;2-(3,4,5-trifluorophenyl)propan-1-ol
CID 143774717
6-(4-aminobutan-2-yl)-2,4-difluoro-3-methoxyphenol
CID 84794194
2-(4-fluoro-2-methoxyphenyl)propan-1-ol
CID 105426240

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,5-trifluoro-3-methoxyphenyl)propan-1-ol?
The IUPAC name of 2-(2,4,5-trifluoro-3-methoxyphenyl)propan-1-ol (CID 117113623) is 2-(2,4,5-trifluoro-3-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-(2,4,5-trifluoro-3-methoxyphenyl)propan-1-ol?
The canonical SMILES for 2-(2,4,5-trifluoro-3-methoxyphenyl)propan-1-ol is COc1c(F)c(F)cc(C(C)CO)c1F.
What is the InChIKey of 2-(2,4,5-trifluoro-3-methoxyphenyl)propan-1-ol?
The InChIKey is MNDCTTCENZDLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O2/c1-5(4-14)6-3-7(11)9(13)10(15-2)8(6)12/h3,5,14H,4H2,1-2H3.
What are the key properties of 2-(2,4,5-trifluoro-3-methoxyphenyl)propan-1-ol?
2-(2,4,5-trifluoro-3-methoxyphenyl)propan-1-ol has a molecular weight of 220.19 g/mol, XLogP of 2.21, 3 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-1-ol is sourced from PubChem (CID 117113623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).