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

C13H14O4 — CID 118338089

IUPAC2-[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]-4-methylphenol
SMILESCc1ccc(O)c(C(O)c2ccc(CO)o2)c1
InChIInChI=1S/C13H14O4/c1-8-2-4-11(15)10(6-8)13(16)12-5-3-9(7-14)17-12/h2-6,13-16H,7H2,1H3
InChIKeyAOBVZAUZAPMKMW-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.87
Rot. Bonds3

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

2-[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]-4-methylphenol (PubChem CID 118338089) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]-4-methylphenol
PubChem CID118338089
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name2-[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]-4-methylphenol
SMILESCc1ccc(O)c(C(O)c2ccc(CO)o2)c1
InChIInChI=1S/C13H14O4/c1-8-2-4-11(15)10(6-8)13(16)12-5-3-9(7-14)17-12/h2-6,13-16H,7H2,1H3
InChIKeyAOBVZAUZAPMKMW-UHFFFAOYSA-N
XLogP1.87
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]phenol
CID 118338095
4-methyl-2-[1,2,2-tris(2-hydroxy-5-methylphenyl)ethyl]phenol
CID 154108469
(4-fluorophenyl)-[5-(hydroxymethyl)furan-2-yl]methanol
CID 163397111
2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methylphenol
CID 55293346
(1R,2S)-1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-ol
CID 130739101
3-[1-(2-hydroxy-5-methylphenyl)ethylamino]propane-1,2-diol
CID 66175463
2-[(1R)-1-hydroxyundecyl]-4-methylphenol
CID 98151788
(S)-hydroxy-(2-hydroxy-5-methylphenyl)methanesulfonic acid
CID 40592817
2-[(1R)-1,3-diaminopropyl]-4-methylphenol
CID 130972220
2-[(1S)-3-hydroxy-1-phenylpropyl]-4-methylphenol
CID 16754102
(2-fluoro-4-methylphenyl)methanediol
CID 129136979
2-[(S)-amino(phenyl)methyl]-4-methylphenol
CID 131560802

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]-4-methylphenol?
The IUPAC name of 2-[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]-4-methylphenol (CID 118338089) is 2-[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]-4-methylphenol.
What is the SMILES notation for 2-[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]-4-methylphenol?
The canonical SMILES for 2-[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]-4-methylphenol is Cc1ccc(O)c(C(O)c2ccc(CO)o2)c1.
What is the InChIKey of 2-[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]-4-methylphenol?
The InChIKey is AOBVZAUZAPMKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-8-2-4-11(15)10(6-8)13(16)12-5-3-9(7-14)17-12/h2-6,13-16H,7H2,1H3.
What are the key properties of 2-[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]-4-methylphenol?
2-[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]-4-methylphenol has a molecular weight of 234.25 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]-4-methylphenol is sourced from PubChem (CID 118338089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).