1-hexoxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-5-ium-7-ol

C14H22NO3+ — CID 153329450

IUPAC1-hexoxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-5-ium-7-ol
SMILESCCCCCCOC1OCc2c[nH+]c(C)c(O)c21
InChIInChI=1S/C14H21NO3/c1-3-4-5-6-7-17-14-12-11(9-18-14)8-15-10(2)13(12)16/h8,14,16H,3-7,9H2,1-2H3/p+1
InChIKeyMOPQREQOVZBUKB-UHFFFAOYSA-O
MW252.33 g/mol
LogP2.64
Rot. Bonds6

About 1-hexoxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-5-ium-7-ol

1-hexoxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-5-ium-7-ol (PubChem CID 153329450) has the molecular formula C14H22NO3+ and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-hexoxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-5-ium-7-ol.

Molecular Properties

Compound Name1-hexoxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-5-ium-7-ol
PubChem CID153329450
Molecular FormulaC14H22NO3+
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-hexoxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-5-ium-7-ol
SMILESCCCCCCOC1OCc2c[nH+]c(C)c(O)c21
InChIInChI=1S/C14H21NO3/c1-3-4-5-6-7-17-14-12-11(9-18-14)8-15-10(2)13(12)16/h8,14,16H,3-7,9H2,1-2H3/p+1
InChIKeyMOPQREQOVZBUKB-UHFFFAOYSA-O
XLogP2.64
TPSA52.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 76581
CID 76581
CID 76580
CID 76580
CID 440188
CID 440188
CID 102658
CID 102658
CID 15838503
CID 15838503
CID 9926202
CID 9926202
CID 20623944
CID 20623944
CID 3321053
CID 3321053
CID 78869
CID 78869
CID 134403
CID 134403
CID 3034219
CID 3034219
CID 5075080
CID 5075080

Frequently Asked Questions

What is the IUPAC name of 1-hexoxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-5-ium-7-ol?
The IUPAC name of 1-hexoxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-5-ium-7-ol (CID 153329450) is 1-hexoxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-5-ium-7-ol.
What is the SMILES notation for 1-hexoxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-5-ium-7-ol?
The canonical SMILES for 1-hexoxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-5-ium-7-ol is CCCCCCOC1OCc2c[nH+]c(C)c(O)c21.
What is the InChIKey of 1-hexoxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-5-ium-7-ol?
The InChIKey is MOPQREQOVZBUKB-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H21NO3/c1-3-4-5-6-7-17-14-12-11(9-18-14)8-15-10(2)13(12)16/h8,14,16H,3-7,9H2,1-2H3/p+1.
What are the key properties of 1-hexoxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-5-ium-7-ol?
1-hexoxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-5-ium-7-ol has a molecular weight of 252.33 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexoxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-5-ium-7-ol is sourced from PubChem (CID 153329450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).