(2,3,5-trifluoro-6-methoxy-4-methylphenyl)methanol

C9H9F3O2 — CID 14520266

IUPAC(2,3,5-trifluoro-6-methoxy-4-methylphenyl)methanol
SMILESCOc1c(F)c(C)c(F)c(F)c1CO
InChIInChI=1S/C9H9F3O2/c1-4-6(10)8(12)5(3-13)9(14-2)7(4)11/h13H,3H2,1-2H3
InChIKeySZBAJAYFGOKHAA-UHFFFAOYSA-N
MW206.16 g/mol
LogP1.91
Rot. Bonds2

About (2,3,5-trifluoro-6-methoxy-4-methylphenyl)methanol

(2,3,5-trifluoro-6-methoxy-4-methylphenyl)methanol (PubChem CID 14520266) has the molecular formula C9H9F3O2 and a molecular weight of 206.16 g/mol. Its IUPAC name is (2,3,5-trifluoro-6-methoxy-4-methylphenyl)methanol.

Molecular Properties

Compound Name(2,3,5-trifluoro-6-methoxy-4-methylphenyl)methanol
PubChem CID14520266
Molecular FormulaC9H9F3O2
Molecular Weight206.16 g/mol
Exact Mass206.06
IUPAC Name(2,3,5-trifluoro-6-methoxy-4-methylphenyl)methanol
SMILESCOc1c(F)c(C)c(F)c(F)c1CO
InChIInChI=1S/C9H9F3O2/c1-4-6(10)8(12)5(3-13)9(14-2)7(4)11/h13H,3H2,1-2H3
InChIKeySZBAJAYFGOKHAA-UHFFFAOYSA-N
XLogP1.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 51.91
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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Frequently Asked Questions

What is the IUPAC name of (2,3,5-trifluoro-6-methoxy-4-methylphenyl)methanol?
The IUPAC name of (2,3,5-trifluoro-6-methoxy-4-methylphenyl)methanol (CID 14520266) is (2,3,5-trifluoro-6-methoxy-4-methylphenyl)methanol.
What is the SMILES notation for (2,3,5-trifluoro-6-methoxy-4-methylphenyl)methanol?
The canonical SMILES for (2,3,5-trifluoro-6-methoxy-4-methylphenyl)methanol is COc1c(F)c(C)c(F)c(F)c1CO.
What is the InChIKey of (2,3,5-trifluoro-6-methoxy-4-methylphenyl)methanol?
The InChIKey is SZBAJAYFGOKHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O2/c1-4-6(10)8(12)5(3-13)9(14-2)7(4)11/h13H,3H2,1-2H3.
What are the key properties of (2,3,5-trifluoro-6-methoxy-4-methylphenyl)methanol?
(2,3,5-trifluoro-6-methoxy-4-methylphenyl)methanol has a molecular weight of 206.16 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,5-trifluoro-6-methoxy-4-methylphenyl)methanol is sourced from PubChem (CID 14520266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).