(2,5-dimethoxy-2H-furan-5-yl)-[4-(trifluoromethyl)phenyl]methanol

C14H15F3O4 — CID 171617000

IUPAC(2,5-dimethoxy-2H-furan-5-yl)-[4-(trifluoromethyl)phenyl]methanol
SMILESCOC1C=CC(OC)(C(O)c2ccc(C(F)(F)F)cc2)O1
InChIInChI=1S/C14H15F3O4/c1-19-11-7-8-13(20-2,21-11)12(18)9-3-5-10(6-4-9)14(15,16)17/h3-8,11-12,18H,1-2H3
InChIKeyHHXWNEGAYULYBA-UHFFFAOYSA-N
MW304.26 g/mol
LogP2.64
Rot. Bonds4

About (2,5-dimethoxy-2H-furan-5-yl)-[4-(trifluoromethyl)phenyl]methanol

(2,5-dimethoxy-2H-furan-5-yl)-[4-(trifluoromethyl)phenyl]methanol (PubChem CID 171617000) has the molecular formula C14H15F3O4 and a molecular weight of 304.26 g/mol. Its IUPAC name is (2,5-dimethoxy-2H-furan-5-yl)-[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(2,5-dimethoxy-2H-furan-5-yl)-[4-(trifluoromethyl)phenyl]methanol
PubChem CID171617000
Molecular FormulaC14H15F3O4
Molecular Weight304.26 g/mol
Exact Mass304.09
IUPAC Name(2,5-dimethoxy-2H-furan-5-yl)-[4-(trifluoromethyl)phenyl]methanol
SMILESCOC1C=CC(OC)(C(O)c2ccc(C(F)(F)F)cc2)O1
InChIInChI=1S/C14H15F3O4/c1-19-11-7-8-13(20-2,21-11)12(18)9-3-5-10(6-4-9)14(15,16)17/h3-8,11-12,18H,1-2H3
InChIKeyHHXWNEGAYULYBA-UHFFFAOYSA-N
XLogP2.64
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_misc_A(5)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxy-2H-furan-5-yl)-[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (2,5-dimethoxy-2H-furan-5-yl)-[4-(trifluoromethyl)phenyl]methanol (CID 171617000) is (2,5-dimethoxy-2H-furan-5-yl)-[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (2,5-dimethoxy-2H-furan-5-yl)-[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (2,5-dimethoxy-2H-furan-5-yl)-[4-(trifluoromethyl)phenyl]methanol is COC1C=CC(OC)(C(O)c2ccc(C(F)(F)F)cc2)O1.
What is the InChIKey of (2,5-dimethoxy-2H-furan-5-yl)-[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is HHXWNEGAYULYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O4/c1-19-11-7-8-13(20-2,21-11)12(18)9-3-5-10(6-4-9)14(15,16)17/h3-8,11-12,18H,1-2H3.
What are the key properties of (2,5-dimethoxy-2H-furan-5-yl)-[4-(trifluoromethyl)phenyl]methanol?
(2,5-dimethoxy-2H-furan-5-yl)-[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 304.26 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxy-2H-furan-5-yl)-[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 171617000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).