2-fluoro-4-[4-(3-fluoro-4-hydroxyphenyl)furan-3-yl]phenol

C16H10F2O3 — CID 172557259

IUPAC2-fluoro-4-[4-(3-fluoro-4-hydroxyphenyl)furan-3-yl]phenol
SMILESOc1ccc(-c2cocc2-c2ccc(O)c(F)c2)cc1F
InChIInChI=1S/C16H10F2O3/c17-13-5-9(1-3-15(13)19)11-7-21-8-12(11)10-2-4-16(20)14(18)6-10/h1-8,19-20H
InChIKeyXSEKCVJHCYFTHW-UHFFFAOYSA-N
MW288.25 g/mol
LogP4.30
Rot. Bonds2

About 2-fluoro-4-[4-(3-fluoro-4-hydroxyphenyl)furan-3-yl]phenol

2-fluoro-4-[4-(3-fluoro-4-hydroxyphenyl)furan-3-yl]phenol (PubChem CID 172557259) has the molecular formula C16H10F2O3 and a molecular weight of 288.25 g/mol. Its IUPAC name is 2-fluoro-4-[4-(3-fluoro-4-hydroxyphenyl)furan-3-yl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[4-(3-fluoro-4-hydroxyphenyl)furan-3-yl]phenol
PubChem CID172557259
Molecular FormulaC16H10F2O3
Molecular Weight288.25 g/mol
Exact Mass288.06
IUPAC Name2-fluoro-4-[4-(3-fluoro-4-hydroxyphenyl)furan-3-yl]phenol
SMILESOc1ccc(-c2cocc2-c2ccc(O)c(F)c2)cc1F
InChIInChI=1S/C16H10F2O3/c17-13-5-9(1-3-15(13)19)11-7-21-8-12(11)10-2-4-16(20)14(18)6-10/h1-8,19-20H
InChIKeyXSEKCVJHCYFTHW-UHFFFAOYSA-N
XLogP4.30
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-(3-fluoro-4-hydroxyphenyl)furan-3-yl]phenol?
The IUPAC name of 2-fluoro-4-[4-(3-fluoro-4-hydroxyphenyl)furan-3-yl]phenol (CID 172557259) is 2-fluoro-4-[4-(3-fluoro-4-hydroxyphenyl)furan-3-yl]phenol.
What is the SMILES notation for 2-fluoro-4-[4-(3-fluoro-4-hydroxyphenyl)furan-3-yl]phenol?
The canonical SMILES for 2-fluoro-4-[4-(3-fluoro-4-hydroxyphenyl)furan-3-yl]phenol is Oc1ccc(-c2cocc2-c2ccc(O)c(F)c2)cc1F.
What is the InChIKey of 2-fluoro-4-[4-(3-fluoro-4-hydroxyphenyl)furan-3-yl]phenol?
The InChIKey is XSEKCVJHCYFTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2O3/c17-13-5-9(1-3-15(13)19)11-7-21-8-12(11)10-2-4-16(20)14(18)6-10/h1-8,19-20H.
What are the key properties of 2-fluoro-4-[4-(3-fluoro-4-hydroxyphenyl)furan-3-yl]phenol?
2-fluoro-4-[4-(3-fluoro-4-hydroxyphenyl)furan-3-yl]phenol has a molecular weight of 288.25 g/mol, XLogP of 4.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-(3-fluoro-4-hydroxyphenyl)furan-3-yl]phenol is sourced from PubChem (CID 172557259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).