3-[[4-(furan-2-yl)phenyl]methoxy]propane-1,2-diol

C14H16O4 — CID 139514349

IUPAC3-[[4-(furan-2-yl)phenyl]methoxy]propane-1,2-diol
SMILESOCC(O)COCc1ccc(-c2ccco2)cc1
InChIInChI=1S/C14H16O4/c15-8-13(16)10-17-9-11-3-5-12(6-4-11)14-2-1-7-18-14/h1-7,13,15-16H,8-10H2
InChIKeyBZIQLXIAGKUGTF-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.82
Rot. Bonds6

About 3-[[4-(furan-2-yl)phenyl]methoxy]propane-1,2-diol

3-[[4-(furan-2-yl)phenyl]methoxy]propane-1,2-diol (PubChem CID 139514349) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-[[4-(furan-2-yl)phenyl]methoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[[4-(furan-2-yl)phenyl]methoxy]propane-1,2-diol
PubChem CID139514349
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name3-[[4-(furan-2-yl)phenyl]methoxy]propane-1,2-diol
SMILESOCC(O)COCc1ccc(-c2ccco2)cc1
InChIInChI=1S/C14H16O4/c15-8-13(16)10-17-9-11-3-5-12(6-4-11)14-2-1-7-18-14/h1-7,13,15-16H,8-10H2
InChIKeyBZIQLXIAGKUGTF-UHFFFAOYSA-N
XLogP1.82
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 172760983
CID 172760983
2-[4-(furan-2-yl)phenyl]ethanol
CID 168524630
2-[4-(phenoxymethyl)phenyl]furan
CID 168528432
(2S)-2-amino-2-[4-(furan-2-yl)phenyl]ethanol
CID 66514043
2-(furan-2-ylmethoxymethyl)furan;propane-1,2,3-triol
CID 174940429
(2S)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-phenylmethoxypropan-2-ol
CID 94800523
2-[4-(2-phenylmethoxyphenyl)phenyl]furan
CID 168526553
3-[1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-yloxy]propane-1,2-diol
CID 10508688
(2R)-2-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-3-phenylmethoxypropan-1-ol
CID 50974974
3-[(3-nitrophenyl)methoxy]propane-1,2-diol
CID 56629531
1-[4-(furan-2-yl)phenyl]-N,N-dimethylmethanamine
CID 159375984
3-[[4-(2,3-dihydroxypropoxymethyl)naphthalen-1-yl]methoxy]propane-1,2-diol
CID 15536755

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(furan-2-yl)phenyl]methoxy]propane-1,2-diol?
The IUPAC name of 3-[[4-(furan-2-yl)phenyl]methoxy]propane-1,2-diol (CID 139514349) is 3-[[4-(furan-2-yl)phenyl]methoxy]propane-1,2-diol.
What is the SMILES notation for 3-[[4-(furan-2-yl)phenyl]methoxy]propane-1,2-diol?
The canonical SMILES for 3-[[4-(furan-2-yl)phenyl]methoxy]propane-1,2-diol is OCC(O)COCc1ccc(-c2ccco2)cc1.
What is the InChIKey of 3-[[4-(furan-2-yl)phenyl]methoxy]propane-1,2-diol?
The InChIKey is BZIQLXIAGKUGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c15-8-13(16)10-17-9-11-3-5-12(6-4-11)14-2-1-7-18-14/h1-7,13,15-16H,8-10H2.
What are the key properties of 3-[[4-(furan-2-yl)phenyl]methoxy]propane-1,2-diol?
3-[[4-(furan-2-yl)phenyl]methoxy]propane-1,2-diol has a molecular weight of 248.28 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(furan-2-yl)phenyl]methoxy]propane-1,2-diol is sourced from PubChem (CID 139514349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).