1-[5-(hydroxymethyl)-3-phenoxyfuran-2-yl]ethanol

C13H14O4 — CID 164703713

IUPAC1-[5-(hydroxymethyl)-3-phenoxyfuran-2-yl]ethanol
SMILESCC(O)c1oc(CO)cc1Oc1ccccc1
InChIInChI=1S/C13H14O4/c1-9(15)13-12(7-11(8-14)17-13)16-10-5-3-2-4-6-10/h2-7,9,14-15H,8H2,1H3
InChIKeyDLWJNNDTXQVLIZ-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.62
Rot. Bonds4

About 1-[5-(hydroxymethyl)-3-phenoxyfuran-2-yl]ethanol

1-[5-(hydroxymethyl)-3-phenoxyfuran-2-yl]ethanol (PubChem CID 164703713) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-[5-(hydroxymethyl)-3-phenoxyfuran-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-(hydroxymethyl)-3-phenoxyfuran-2-yl]ethanol
PubChem CID164703713
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name1-[5-(hydroxymethyl)-3-phenoxyfuran-2-yl]ethanol
SMILESCC(O)c1oc(CO)cc1Oc1ccccc1
InChIInChI=1S/C13H14O4/c1-9(15)13-12(7-11(8-14)17-13)16-10-5-3-2-4-6-10/h2-7,9,14-15H,8H2,1H3
InChIKeyDLWJNNDTXQVLIZ-UHFFFAOYSA-N
XLogP2.62
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(5-fluoro-2-phenoxyphenyl)ethanol
CID 78941630
1-(2-methoxy-6-phenoxyphenyl)ethanol
CID 113389264
2,5-diphenoxybenzene-1,4-diamine
CID 139696987
4-[[2-(hydroxymethyl)-1-benzofuran-7-yl]oxy]phenol
CID 22889023
1-(3-phenoxyphenyl)ethanol
CID 12882419
[4-(4-fluoro-3-phenoxyphenyl)-5-phenyl-2-propan-2-ylfuran-3-yl]methanol
CID 14461328
3-methylbutan-1-ol;phenoxybenzene
CID 175265119
1-(4-phenoxyphenyl)ethanol;hydrochloride
CID 67663526
ethane-1,2-diol;methanol;phenoxybenzene
CID 174609290
1-(1-hydroxyethylsulfanyl)ethanol;phenoxybenzene
CID 21117107
2-phenoxybenzoic acid;propan-2-ol
CID 159883753
[2-(dimethoxymethyl)-6-phenoxyphenyl]methanol
CID 22071610

Frequently Asked Questions

What is the IUPAC name of 1-[5-(hydroxymethyl)-3-phenoxyfuran-2-yl]ethanol?
The IUPAC name of 1-[5-(hydroxymethyl)-3-phenoxyfuran-2-yl]ethanol (CID 164703713) is 1-[5-(hydroxymethyl)-3-phenoxyfuran-2-yl]ethanol.
What is the SMILES notation for 1-[5-(hydroxymethyl)-3-phenoxyfuran-2-yl]ethanol?
The canonical SMILES for 1-[5-(hydroxymethyl)-3-phenoxyfuran-2-yl]ethanol is CC(O)c1oc(CO)cc1Oc1ccccc1.
What is the InChIKey of 1-[5-(hydroxymethyl)-3-phenoxyfuran-2-yl]ethanol?
The InChIKey is DLWJNNDTXQVLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-9(15)13-12(7-11(8-14)17-13)16-10-5-3-2-4-6-10/h2-7,9,14-15H,8H2,1H3.
What are the key properties of 1-[5-(hydroxymethyl)-3-phenoxyfuran-2-yl]ethanol?
1-[5-(hydroxymethyl)-3-phenoxyfuran-2-yl]ethanol has a molecular weight of 234.25 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(hydroxymethyl)-3-phenoxyfuran-2-yl]ethanol is sourced from PubChem (CID 164703713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).