4-[(4-phenylphenoxy)methyl]-5-(trifluoromethyl)furan-2-carboxylic acid

C19H13F3O4 — CID 18444588

IUPAC4-[(4-phenylphenoxy)methyl]-5-(trifluoromethyl)furan-2-carboxylic acid
SMILESO=C(O)c1cc(COc2ccc(-c3ccccc3)cc2)c(C(F)(F)F)o1
InChIInChI=1S/C19H13F3O4/c20-19(21,22)17-14(10-16(26-17)18(23)24)11-25-15-8-6-13(7-9-15)12-4-2-1-3-5-12/h1-10H,11H2,(H,23,24)
InChIKeySAGWNXBYZYNMDZ-UHFFFAOYSA-N
MW362.30 g/mol
LogP5.24
Rot. Bonds5

About 4-[(4-phenylphenoxy)methyl]-5-(trifluoromethyl)furan-2-carboxylic acid

4-[(4-phenylphenoxy)methyl]-5-(trifluoromethyl)furan-2-carboxylic acid (PubChem CID 18444588) has the molecular formula C19H13F3O4 and a molecular weight of 362.30 g/mol. Its IUPAC name is 4-[(4-phenylphenoxy)methyl]-5-(trifluoromethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-phenylphenoxy)methyl]-5-(trifluoromethyl)furan-2-carboxylic acid
PubChem CID18444588
Molecular FormulaC19H13F3O4
Molecular Weight362.30 g/mol
Exact Mass362.08
IUPAC Name4-[(4-phenylphenoxy)methyl]-5-(trifluoromethyl)furan-2-carboxylic acid
SMILESO=C(O)c1cc(COc2ccc(-c3ccccc3)cc2)c(C(F)(F)F)o1
InChIInChI=1S/C19H13F3O4/c20-19(21,22)17-14(10-16(26-17)18(23)24)11-25-15-8-6-13(7-9-15)12-4-2-1-3-5-12/h1-10H,11H2,(H,23,24)
InChIKeySAGWNXBYZYNMDZ-UHFFFAOYSA-N
XLogP5.24
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.30
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-4-[(4-phenoxyphenoxy)methyl]furan-2-carboxylic acid
CID 22685896
5-methyl-4-[[3-[3-(trifluoromethyl)phenyl]phenoxy]methyl]furan-2-carboxylic acid
CID 18444604
3-[(4-phenylphenoxy)methyl]benzoic acid
CID 18707489
N-(benzenesulfonyl)-4-[[4-[4-(difluoromethoxy)phenyl]phenoxy]methyl]-5-methylfuran-2-carboxamide;4-[[4-[4-(difluoromethoxy)phenyl]phenoxy]methyl]-5-methylfuran-2-carboxylic acid
CID 159041040
3-[[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid
CID 17386602
4-[(3-methoxy-4-phenylphenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 68919722
4-[[4-[4-chloro-2-(trifluoromethyl)phenyl]phenoxy]methyl]-5-methylfuran-2-carboxylic acid;methyl 4-[(4-iodophenoxy)methyl]-5-methylfuran-2-carboxylate
CID 158103755
N-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonyl-2-phenylacetamide
CID 58824159
5-[(4-fluorophenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 19413095
4-[[4-(4-acetylphenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid;methyl 4-[(4-iodophenoxy)methyl]-5-methylfuran-2-carboxylate
CID 158364687
4-phenylmethoxy-2-(trifluoromethyl)benzoic acid;hydrochloride
CID 67852873
4-[(4-carbamoylphenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 62273259

Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenylphenoxy)methyl]-5-(trifluoromethyl)furan-2-carboxylic acid?
The IUPAC name of 4-[(4-phenylphenoxy)methyl]-5-(trifluoromethyl)furan-2-carboxylic acid (CID 18444588) is 4-[(4-phenylphenoxy)methyl]-5-(trifluoromethyl)furan-2-carboxylic acid.
What is the SMILES notation for 4-[(4-phenylphenoxy)methyl]-5-(trifluoromethyl)furan-2-carboxylic acid?
The canonical SMILES for 4-[(4-phenylphenoxy)methyl]-5-(trifluoromethyl)furan-2-carboxylic acid is O=C(O)c1cc(COc2ccc(-c3ccccc3)cc2)c(C(F)(F)F)o1.
What is the InChIKey of 4-[(4-phenylphenoxy)methyl]-5-(trifluoromethyl)furan-2-carboxylic acid?
The InChIKey is SAGWNXBYZYNMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3O4/c20-19(21,22)17-14(10-16(26-17)18(23)24)11-25-15-8-6-13(7-9-15)12-4-2-1-3-5-12/h1-10H,11H2,(H,23,24).
What are the key properties of 4-[(4-phenylphenoxy)methyl]-5-(trifluoromethyl)furan-2-carboxylic acid?
4-[(4-phenylphenoxy)methyl]-5-(trifluoromethyl)furan-2-carboxylic acid has a molecular weight of 362.30 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenylphenoxy)methyl]-5-(trifluoromethyl)furan-2-carboxylic acid is sourced from PubChem (CID 18444588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).