[5-[(3-fluorophenoxy)methyl]furan-2-yl]methanol

C12H11FO3 — CID 82080187

IUPAC[5-[(3-fluorophenoxy)methyl]furan-2-yl]methanol
SMILESOCc1ccc(COc2cccc(F)c2)o1
InChIInChI=1S/C12H11FO3/c13-9-2-1-3-10(6-9)15-8-12-5-4-11(7-14)16-12/h1-6,14H,7-8H2
InChIKeyDCRDNKXMYPFFHF-UHFFFAOYSA-N
MW222.22 g/mol
LogP2.49
Rot. Bonds4

About [5-[(3-fluorophenoxy)methyl]furan-2-yl]methanol

[5-[(3-fluorophenoxy)methyl]furan-2-yl]methanol (PubChem CID 82080187) has the molecular formula C12H11FO3 and a molecular weight of 222.22 g/mol. Its IUPAC name is [5-[(3-fluorophenoxy)methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(3-fluorophenoxy)methyl]furan-2-yl]methanol
PubChem CID82080187
Molecular FormulaC12H11FO3
Molecular Weight222.22 g/mol
Exact Mass222.07
IUPAC Name[5-[(3-fluorophenoxy)methyl]furan-2-yl]methanol
SMILESOCc1ccc(COc2cccc(F)c2)o1
InChIInChI=1S/C12H11FO3/c13-9-2-1-3-10(6-9)15-8-12-5-4-11(7-14)16-12/h1-6,14H,7-8H2
InChIKeyDCRDNKXMYPFFHF-UHFFFAOYSA-N
XLogP2.49
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-fluorophenoxy)methyl]-3-methyl-1,2-oxazole
CID 60681199
5-[(3-fluorophenoxy)methyl]-3-methylfuran-2-carboxylic acid
CID 43620729
[5-[(2,3-difluorophenoxy)methyl]furan-2-yl]methanol
CID 113372456
[3-[(5-methylfuran-2-yl)methoxy]phenyl]methanol
CID 79868965
1-[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62459221
5-[(3-fluorophenoxy)methyl]thiophene-2-carboxylic acid
CID 63380111
N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62459392
3-[(3-fluorophenoxy)methyl]-1,2-oxazole-5-carboxylic acid
CID 117215650
2-[(3-fluorophenoxy)methyl]-5-methylbenzoic acid
CID 117221147
5-bromo-2-[(3-fluorophenoxy)methyl]-1,3-oxazole
CID 117187944
4-[(3-fluorophenoxy)methyl]benzene-1,2-diol
CID 117220383
3-amino-4-[(3-fluorophenoxy)methyl]benzamide
CID 43376530

Frequently Asked Questions

What is the IUPAC name of [5-[(3-fluorophenoxy)methyl]furan-2-yl]methanol?
The IUPAC name of [5-[(3-fluorophenoxy)methyl]furan-2-yl]methanol (CID 82080187) is [5-[(3-fluorophenoxy)methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(3-fluorophenoxy)methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(3-fluorophenoxy)methyl]furan-2-yl]methanol is OCc1ccc(COc2cccc(F)c2)o1.
What is the InChIKey of [5-[(3-fluorophenoxy)methyl]furan-2-yl]methanol?
The InChIKey is DCRDNKXMYPFFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO3/c13-9-2-1-3-10(6-9)15-8-12-5-4-11(7-14)16-12/h1-6,14H,7-8H2.
What are the key properties of [5-[(3-fluorophenoxy)methyl]furan-2-yl]methanol?
[5-[(3-fluorophenoxy)methyl]furan-2-yl]methanol has a molecular weight of 222.22 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-fluorophenoxy)methyl]furan-2-yl]methanol is sourced from PubChem (CID 82080187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).