(1R)-1-(furan-2-ylmethoxy)propane-1,2-diol

C8H12O4 — CID 69117104

IUPAC(1R)-1-(furan-2-ylmethoxy)propane-1,2-diol
SMILESCC(O)[C@H](O)OCc1ccco1
InChIInChI=1S/C8H12O4/c1-6(9)8(10)12-5-7-3-2-4-11-7/h2-4,6,8-10H,5H2,1H3/t6?,8-/m1/s1
InChIKeyYDBCIBJZBJDXMK-QFSRMBNQSA-N
MW172.18 g/mol
LogP0.50
Rot. Bonds4

About (1R)-1-(furan-2-ylmethoxy)propane-1,2-diol

(1R)-1-(furan-2-ylmethoxy)propane-1,2-diol (PubChem CID 69117104) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is (1R)-1-(furan-2-ylmethoxy)propane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-(furan-2-ylmethoxy)propane-1,2-diol
PubChem CID69117104
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name(1R)-1-(furan-2-ylmethoxy)propane-1,2-diol
SMILESCC(O)[C@H](O)OCc1ccco1
InChIInChI=1S/C8H12O4/c1-6(9)8(10)12-5-7-3-2-4-11-7/h2-4,6,8-10H,5H2,1H3/t6?,8-/m1/s1
InChIKeyYDBCIBJZBJDXMK-QFSRMBNQSA-N
XLogP0.50
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-ylmethoxy)ethanol
CID 20517704
2-(butan-2-yloxymethyl)furan
CID 118563774
2-(ethylperoxymethyl)furan
CID 175094388
1-[2-(furan-2-ylmethoxy)ethoxy]ethanol
CID 20517706
2-(hexan-2-yloxymethyl)furan
CID 141468564
2,2,2-trifluoro-1-(furan-2-ylmethoxy)ethanol
CID 69288025
N-[2-(furan-2-ylmethoxy)propyl]butan-2-amine
CID 62564797
ethyl 2-(furan-2-ylmethoxy)pentanoate
CID 83038819
1-(4-fluorophenyl)-1-(furan-2-ylmethoxy)propan-2-amine
CID 55014973
2-(furan-2-ylmethoxy)-N-propan-2-ylpentan-1-amine
CID 83046613
2-(furan-2-ylmethoxymethyl)furan;propane-1,2,3-triol
CID 174940429
2-fluoro-2-(furan-2-ylmethoxy)acetic acid
CID 79357493

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(furan-2-ylmethoxy)propane-1,2-diol?
The IUPAC name of (1R)-1-(furan-2-ylmethoxy)propane-1,2-diol (CID 69117104) is (1R)-1-(furan-2-ylmethoxy)propane-1,2-diol.
What is the SMILES notation for (1R)-1-(furan-2-ylmethoxy)propane-1,2-diol?
The canonical SMILES for (1R)-1-(furan-2-ylmethoxy)propane-1,2-diol is CC(O)[C@H](O)OCc1ccco1.
What is the InChIKey of (1R)-1-(furan-2-ylmethoxy)propane-1,2-diol?
The InChIKey is YDBCIBJZBJDXMK-QFSRMBNQSA-N. The full InChI is InChI=1S/C8H12O4/c1-6(9)8(10)12-5-7-3-2-4-11-7/h2-4,6,8-10H,5H2,1H3/t6?,8-/m1/s1.
What are the key properties of (1R)-1-(furan-2-ylmethoxy)propane-1,2-diol?
(1R)-1-(furan-2-ylmethoxy)propane-1,2-diol has a molecular weight of 172.18 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(furan-2-ylmethoxy)propane-1,2-diol is sourced from PubChem (CID 69117104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).