(2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanol

C15H13F3O3 — CID 63895257

IUPAC(2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanol
SMILESCOc1cccc(C(O)c2ccc(F)c(F)c2F)c1OC
InChIInChI=1S/C15H13F3O3/c1-20-11-5-3-4-9(15(11)21-2)14(19)8-6-7-10(16)13(18)12(8)17/h3-7,14,19H,1-2H3
InChIKeyJIGXYHMGMHGSJE-UHFFFAOYSA-N
MW298.26 g/mol
LogP3.20
Rot. Bonds4

About (2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanol

(2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanol (PubChem CID 63895257) has the molecular formula C15H13F3O3 and a molecular weight of 298.26 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanol.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanol
PubChem CID63895257
Molecular FormulaC15H13F3O3
Molecular Weight298.26 g/mol
Exact Mass298.08
IUPAC Name(2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanol
SMILESCOc1cccc(C(O)c2ccc(F)c(F)c2F)c1OC
InChIInChI=1S/C15H13F3O3/c1-20-11-5-3-4-9(15(11)21-2)14(19)8-6-7-10(16)13(18)12(8)17/h3-7,14,19H,1-2H3
InChIKeyJIGXYHMGMHGSJE-UHFFFAOYSA-N
XLogP3.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82791266
(2-amino-3-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol
CID 107469586
(2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 82106214
(2-chloro-6-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol
CID 104817019
(2-fluoro-3-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103435754
(5-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82805632
(4-bromo-2-methoxyphenyl)-(2,3-difluorophenyl)methanol
CID 115800768
2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol
CID 115832717
(2-amino-3-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 107469597
(2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807791
[(2-fluoro-3-methoxyphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105329259
(2,3-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82806744

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanol?
The IUPAC name of (2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanol (CID 63895257) is (2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanol.
What is the SMILES notation for (2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanol?
The canonical SMILES for (2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanol is COc1cccc(C(O)c2ccc(F)c(F)c2F)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanol?
The InChIKey is JIGXYHMGMHGSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O3/c1-20-11-5-3-4-9(15(11)21-2)14(19)8-6-7-10(16)13(18)12(8)17/h3-7,14,19H,1-2H3.
What are the key properties of (2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanol?
(2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanol has a molecular weight of 298.26 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanol is sourced from PubChem (CID 63895257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).