4-(2-methoxyethoxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol

C13H19NO3 — CID 10331722

IUPAC4-(2-methoxyethoxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
SMILESCOCCOc1ccnc2c1CCCCC2O
InChIInChI=1S/C13H19NO3/c1-16-8-9-17-12-6-7-14-13-10(12)4-2-3-5-11(13)15/h6-7,11,15H,2-5,8-9H2,1H3
InChIKeyQJLXXBXGVZAXCZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.87
Rot. Bonds4

About 4-(2-methoxyethoxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol

4-(2-methoxyethoxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol (PubChem CID 10331722) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
PubChem CID10331722
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-(2-methoxyethoxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
SMILESCOCCOc1ccnc2c1CCCCC2O
InChIInChI=1S/C13H19NO3/c1-16-8-9-17-12-6-7-14-13-10(12)4-2-3-5-11(13)15/h6-7,11,15H,2-5,8-9H2,1H3
InChIKeyQJLXXBXGVZAXCZ-UHFFFAOYSA-N
XLogP1.87
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol?
The IUPAC name of 4-(2-methoxyethoxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol (CID 10331722) is 4-(2-methoxyethoxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol.
What is the SMILES notation for 4-(2-methoxyethoxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol?
The canonical SMILES for 4-(2-methoxyethoxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol is COCCOc1ccnc2c1CCCCC2O.
What is the InChIKey of 4-(2-methoxyethoxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol?
The InChIKey is QJLXXBXGVZAXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-16-8-9-17-12-6-7-14-13-10(12)4-2-3-5-11(13)15/h6-7,11,15H,2-5,8-9H2,1H3.
What are the key properties of 4-(2-methoxyethoxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol?
4-(2-methoxyethoxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol has a molecular weight of 237.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol is sourced from PubChem (CID 10331722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).