4-[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]phenol

C12H12O4 — CID 118338095

IUPAC4-[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]phenol
SMILESOCc1ccc(C(O)c2ccc(O)cc2)o1
InChIInChI=1S/C12H12O4/c13-7-10-5-6-11(16-10)12(15)8-1-3-9(14)4-2-8/h1-6,12-15H,7H2
InChIKeyLMFXEVAFBGRSGL-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.56
Rot. Bonds3

About 4-[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]phenol

4-[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]phenol (PubChem CID 118338095) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is 4-[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]phenol.

Molecular Properties

Compound Name4-[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]phenol
PubChem CID118338095
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name4-[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]phenol
SMILESOCc1ccc(C(O)c2ccc(O)cc2)o1
InChIInChI=1S/C12H12O4/c13-7-10-5-6-11(16-10)12(15)8-1-3-9(14)4-2-8/h1-6,12-15H,7H2
InChIKeyLMFXEVAFBGRSGL-UHFFFAOYSA-N
XLogP1.56
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)-[5-(hydroxymethyl)furan-2-yl]methanol
CID 163397111
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
(1R,2S)-1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-ol
CID 130739101
3-bromo-1-[5-(hydroxymethyl)furan-2-yl]propane-1,2-diol
CID 171861403
[5-[hydroxy(phenyl)methyl]furan-2-yl]methyl-trimethylazanium iodide
CID 10022201
5-[[2-hydroxy-5-[hydroxy-[5-[[4-hydroxy-3,5-bis[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]phenyl]methyl]furan-2-yl]methyl]phenyl]methyl]furan-2-carbaldehyde
CID 118338096
[5-[(R)-amino(thiophen-3-yl)methyl]furan-2-yl]methanol;hydrochloride
CID 171211493
(2R,3R)-3,5-bis(4-hydroxyphenyl)pent-4-ene-1,2-diol
CID 162929249
(2S,3S)-3,5-bis(4-hydroxyphenyl)pent-4-ene-1,2-diol
CID 91558064
(E,2S,3S)-3,5-bis(4-hydroxyphenyl)pent-4-ene-1,2-diol
CID 15558522
4-[(4-bromophenyl)-hydroxymethyl]phenol
CID 146871813

Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]phenol?
The IUPAC name of 4-[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]phenol (CID 118338095) is 4-[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]phenol.
What is the SMILES notation for 4-[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]phenol?
The canonical SMILES for 4-[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]phenol is OCc1ccc(C(O)c2ccc(O)cc2)o1.
What is the InChIKey of 4-[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]phenol?
The InChIKey is LMFXEVAFBGRSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c13-7-10-5-6-11(16-10)12(15)8-1-3-9(14)4-2-8/h1-6,12-15H,7H2.
What are the key properties of 4-[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]phenol?
4-[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]phenol has a molecular weight of 220.22 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]phenol is sourced from PubChem (CID 118338095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).