[2-[5-[3-(hydroxymethyl)furan-2-yl]thiophen-2-yl]furan-3-yl]methanol

C14H12O4S — CID 19603873

IUPAC[2-[5-[3-(hydroxymethyl)furan-2-yl]thiophen-2-yl]furan-3-yl]methanol
SMILESOCc1ccoc1-c1ccc(-c2occc2CO)s1
InChIInChI=1S/C14H12O4S/c15-7-9-3-5-17-13(9)11-1-2-12(19-11)14-10(8-16)4-6-18-14/h1-6,15-16H,7-8H2
InChIKeyGKMHBMCVVYEQDH-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.25
Rot. Bonds4

About [2-[5-[3-(hydroxymethyl)furan-2-yl]thiophen-2-yl]furan-3-yl]methanol

[2-[5-[3-(hydroxymethyl)furan-2-yl]thiophen-2-yl]furan-3-yl]methanol (PubChem CID 19603873) has the molecular formula C14H12O4S and a molecular weight of 276.31 g/mol. Its IUPAC name is [2-[5-[3-(hydroxymethyl)furan-2-yl]thiophen-2-yl]furan-3-yl]methanol.

Molecular Properties

Compound Name[2-[5-[3-(hydroxymethyl)furan-2-yl]thiophen-2-yl]furan-3-yl]methanol
PubChem CID19603873
Molecular FormulaC14H12O4S
Molecular Weight276.31 g/mol
Exact Mass276.05
IUPAC Name[2-[5-[3-(hydroxymethyl)furan-2-yl]thiophen-2-yl]furan-3-yl]methanol
SMILESOCc1ccoc1-c1ccc(-c2occc2CO)s1
InChIInChI=1S/C14H12O4S/c15-7-9-3-5-17-13(9)11-1-2-12(19-11)14-10(8-16)4-6-18-14/h1-6,15-16H,7-8H2
InChIKeyGKMHBMCVVYEQDH-UHFFFAOYSA-N
XLogP3.25
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[5-[3-(hydroxymethyl)furan-2-yl]thiophen-2-yl]furan-3-yl]methanol?
The IUPAC name of [2-[5-[3-(hydroxymethyl)furan-2-yl]thiophen-2-yl]furan-3-yl]methanol (CID 19603873) is [2-[5-[3-(hydroxymethyl)furan-2-yl]thiophen-2-yl]furan-3-yl]methanol.
What is the SMILES notation for [2-[5-[3-(hydroxymethyl)furan-2-yl]thiophen-2-yl]furan-3-yl]methanol?
The canonical SMILES for [2-[5-[3-(hydroxymethyl)furan-2-yl]thiophen-2-yl]furan-3-yl]methanol is OCc1ccoc1-c1ccc(-c2occc2CO)s1.
What is the InChIKey of [2-[5-[3-(hydroxymethyl)furan-2-yl]thiophen-2-yl]furan-3-yl]methanol?
The InChIKey is GKMHBMCVVYEQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4S/c15-7-9-3-5-17-13(9)11-1-2-12(19-11)14-10(8-16)4-6-18-14/h1-6,15-16H,7-8H2.
What are the key properties of [2-[5-[3-(hydroxymethyl)furan-2-yl]thiophen-2-yl]furan-3-yl]methanol?
[2-[5-[3-(hydroxymethyl)furan-2-yl]thiophen-2-yl]furan-3-yl]methanol has a molecular weight of 276.31 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-[3-(hydroxymethyl)furan-2-yl]thiophen-2-yl]furan-3-yl]methanol is sourced from PubChem (CID 19603873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).