3-(2H-pyran-2-yloxy)propane-1,2-diol

C8H12O4 — CID 19430042

IUPAC3-(2H-pyran-2-yloxy)propane-1,2-diol
SMILESOCC(O)COC1C=CC=CO1
InChIInChI=1S/C8H12O4/c9-5-7(10)6-12-8-3-1-2-4-11-8/h1-4,7-10H,5-6H2
InChIKeyNFIYWDNGGXCTLK-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.22
Rot. Bonds4

About 3-(2H-pyran-2-yloxy)propane-1,2-diol

3-(2H-pyran-2-yloxy)propane-1,2-diol (PubChem CID 19430042) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is 3-(2H-pyran-2-yloxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(2H-pyran-2-yloxy)propane-1,2-diol
PubChem CID19430042
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name3-(2H-pyran-2-yloxy)propane-1,2-diol
SMILESOCC(O)COC1C=CC=CO1
InChIInChI=1S/C8H12O4/c9-5-7(10)6-12-8-3-1-2-4-11-8/h1-4,7-10H,5-6H2
InChIKeyNFIYWDNGGXCTLK-UHFFFAOYSA-N
XLogP-0.22
TPSA58.92 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 ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2H-pyran-2-yloxy)propane-1,2-diol?
The IUPAC name of 3-(2H-pyran-2-yloxy)propane-1,2-diol (CID 19430042) is 3-(2H-pyran-2-yloxy)propane-1,2-diol.
What is the SMILES notation for 3-(2H-pyran-2-yloxy)propane-1,2-diol?
The canonical SMILES for 3-(2H-pyran-2-yloxy)propane-1,2-diol is OCC(O)COC1C=CC=CO1.
What is the InChIKey of 3-(2H-pyran-2-yloxy)propane-1,2-diol?
The InChIKey is NFIYWDNGGXCTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c9-5-7(10)6-12-8-3-1-2-4-11-8/h1-4,7-10H,5-6H2.
What are the key properties of 3-(2H-pyran-2-yloxy)propane-1,2-diol?
3-(2H-pyran-2-yloxy)propane-1,2-diol has a molecular weight of 172.18 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-pyran-2-yloxy)propane-1,2-diol is sourced from PubChem (CID 19430042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).