(4-fluorophenyl)-[5-(hydroxymethyl)furan-2-yl]methanol

C12H11FO3 — CID 163397111

IUPAC(4-fluorophenyl)-[5-(hydroxymethyl)furan-2-yl]methanol
SMILESOCc1ccc(C(O)c2ccc(F)cc2)o1
InChIInChI=1S/C12H11FO3/c13-9-3-1-8(2-4-9)12(15)11-6-5-10(7-14)16-11/h1-6,12,14-15H,7H2
InChIKeySUBFUMMHRUGBGE-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.99
Rot. Bonds3

About (4-fluorophenyl)-[5-(hydroxymethyl)furan-2-yl]methanol

(4-fluorophenyl)-[5-(hydroxymethyl)furan-2-yl]methanol (PubChem CID 163397111) has the molecular formula C12H11FO3 and a molecular weight of 222.21 g/mol. Its IUPAC name is (4-fluorophenyl)-[5-(hydroxymethyl)furan-2-yl]methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-[5-(hydroxymethyl)furan-2-yl]methanol
PubChem CID163397111
Molecular FormulaC12H11FO3
Molecular Weight222.21 g/mol
Exact Mass222.07
IUPAC Name(4-fluorophenyl)-[5-(hydroxymethyl)furan-2-yl]methanol
SMILESOCc1ccc(C(O)c2ccc(F)cc2)o1
InChIInChI=1S/C12H11FO3/c13-9-3-1-8(2-4-9)12(15)11-6-5-10(7-14)16-11/h1-6,12,14-15H,7H2
InChIKeySUBFUMMHRUGBGE-UHFFFAOYSA-N
XLogP1.99
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]phenol
CID 118338095
[5-(1,3-dioxol-2-yl)furan-2-yl]-(4-fluorophenyl)methanol
CID 141171878
(R)-[5-(1,3-dioxolan-2-yl)furan-2-yl]-(4-fluorophenyl)methanol
CID 129383188
(1R,2S)-1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-ol
CID 130739101
2-[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]-4-methylphenol
CID 118338089
2-[[5-[hydroxy-(4-methoxyphenyl)methyl]furan-2-yl]methoxy]ethanol
CID 101465402
[5-[hydroxy(phenyl)methyl]furan-2-yl]methyl-trimethylazanium iodide
CID 10022201
(4-fluorophenyl)-(2-methyloxiran-2-yl)methanol
CID 139349129
[5-[(1S)-1,3-diaminopropyl]furan-2-yl]methanol
CID 171231063
(5-ethylfuran-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879516
[4-chloro-2-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanol
CID 141261609
(2-amino-1,3-thiazol-5-yl)-(4-fluorophenyl)methanol
CID 112694574

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[5-(hydroxymethyl)furan-2-yl]methanol?
The IUPAC name of (4-fluorophenyl)-[5-(hydroxymethyl)furan-2-yl]methanol (CID 163397111) is (4-fluorophenyl)-[5-(hydroxymethyl)furan-2-yl]methanol.
What is the SMILES notation for (4-fluorophenyl)-[5-(hydroxymethyl)furan-2-yl]methanol?
The canonical SMILES for (4-fluorophenyl)-[5-(hydroxymethyl)furan-2-yl]methanol is OCc1ccc(C(O)c2ccc(F)cc2)o1.
What is the InChIKey of (4-fluorophenyl)-[5-(hydroxymethyl)furan-2-yl]methanol?
The InChIKey is SUBFUMMHRUGBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO3/c13-9-3-1-8(2-4-9)12(15)11-6-5-10(7-14)16-11/h1-6,12,14-15H,7H2.
What are the key properties of (4-fluorophenyl)-[5-(hydroxymethyl)furan-2-yl]methanol?
(4-fluorophenyl)-[5-(hydroxymethyl)furan-2-yl]methanol has a molecular weight of 222.21 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[5-(hydroxymethyl)furan-2-yl]methanol is sourced from PubChem (CID 163397111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).