4-methoxy-5-(methoxymethyl)-2-methylfuran-3-ol

C8H12O4 — CID 163735790

IUPAC4-methoxy-5-(methoxymethyl)-2-methylfuran-3-ol
SMILESCOCc1oc(C)c(O)c1OC
InChIInChI=1S/C8H12O4/c1-5-7(9)8(11-3)6(12-5)4-10-2/h9H,4H2,1-3H3
InChIKeyLDLVSNUHMBNMKB-UHFFFAOYSA-N
MW172.18 g/mol
LogP1.45
Rot. Bonds3

About 4-methoxy-5-(methoxymethyl)-2-methylfuran-3-ol

4-methoxy-5-(methoxymethyl)-2-methylfuran-3-ol (PubChem CID 163735790) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is 4-methoxy-5-(methoxymethyl)-2-methylfuran-3-ol.

Molecular Properties

Compound Name4-methoxy-5-(methoxymethyl)-2-methylfuran-3-ol
PubChem CID163735790
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name4-methoxy-5-(methoxymethyl)-2-methylfuran-3-ol
SMILESCOCc1oc(C)c(O)c1OC
InChIInChI=1S/C8H12O4/c1-5-7(9)8(11-3)6(12-5)4-10-2/h9H,4H2,1-3H3
InChIKeyLDLVSNUHMBNMKB-UHFFFAOYSA-N
XLogP1.45
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-(methoxymethyl)-2-methylfuran-3-ol?
The IUPAC name of 4-methoxy-5-(methoxymethyl)-2-methylfuran-3-ol (CID 163735790) is 4-methoxy-5-(methoxymethyl)-2-methylfuran-3-ol.
What is the SMILES notation for 4-methoxy-5-(methoxymethyl)-2-methylfuran-3-ol?
The canonical SMILES for 4-methoxy-5-(methoxymethyl)-2-methylfuran-3-ol is COCc1oc(C)c(O)c1OC.
What is the InChIKey of 4-methoxy-5-(methoxymethyl)-2-methylfuran-3-ol?
The InChIKey is LDLVSNUHMBNMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c1-5-7(9)8(11-3)6(12-5)4-10-2/h9H,4H2,1-3H3.
What are the key properties of 4-methoxy-5-(methoxymethyl)-2-methylfuran-3-ol?
4-methoxy-5-(methoxymethyl)-2-methylfuran-3-ol has a molecular weight of 172.18 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-(methoxymethyl)-2-methylfuran-3-ol is sourced from PubChem (CID 163735790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).