2-[2-(11,12-dihydro-10H-benzo[b][1]benzazocin-5-yl)ethoxy]ethanol

C19H23NO2 — CID 18965318

IUPAC2-[2-(11,12-dihydro-10H-benzo[b][1]benzazocin-5-yl)ethoxy]ethanol
SMILESOCCOCCN1c2ccccc2CCCc2ccccc21
InChIInChI=1S/C19H23NO2/c21-13-15-22-14-12-20-18-10-3-1-6-16(18)8-5-9-17-7-2-4-11-19(17)20/h1-4,6-7,10-11,21H,5,8-9,12-15H2
InChIKeyRQOHASDXNRCTLU-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.32
Rot. Bonds5

About 2-[2-(11,12-dihydro-10H-benzo[b][1]benzazocin-5-yl)ethoxy]ethanol

2-[2-(11,12-dihydro-10H-benzo[b][1]benzazocin-5-yl)ethoxy]ethanol (PubChem CID 18965318) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[2-(11,12-dihydro-10H-benzo[b][1]benzazocin-5-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(11,12-dihydro-10H-benzo[b][1]benzazocin-5-yl)ethoxy]ethanol
PubChem CID18965318
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name2-[2-(11,12-dihydro-10H-benzo[b][1]benzazocin-5-yl)ethoxy]ethanol
SMILESOCCOCCN1c2ccccc2CCCc2ccccc21
InChIInChI=1S/C19H23NO2/c21-13-15-22-14-12-20-18-10-3-1-6-16(18)8-5-9-17-7-2-4-11-19(17)20/h1-4,6-7,10-11,21H,5,8-9,12-15H2
InChIKeyRQOHASDXNRCTLU-UHFFFAOYSA-N
XLogP3.32
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.32
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(11,12-dihydro-10H-benzo[b][1]benzazocin-5-yl)ethoxy]ethanol?
The IUPAC name of 2-[2-(11,12-dihydro-10H-benzo[b][1]benzazocin-5-yl)ethoxy]ethanol (CID 18965318) is 2-[2-(11,12-dihydro-10H-benzo[b][1]benzazocin-5-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(11,12-dihydro-10H-benzo[b][1]benzazocin-5-yl)ethoxy]ethanol?
The canonical SMILES for 2-[2-(11,12-dihydro-10H-benzo[b][1]benzazocin-5-yl)ethoxy]ethanol is OCCOCCN1c2ccccc2CCCc2ccccc21.
What is the InChIKey of 2-[2-(11,12-dihydro-10H-benzo[b][1]benzazocin-5-yl)ethoxy]ethanol?
The InChIKey is RQOHASDXNRCTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c21-13-15-22-14-12-20-18-10-3-1-6-16(18)8-5-9-17-7-2-4-11-19(17)20/h1-4,6-7,10-11,21H,5,8-9,12-15H2.
What are the key properties of 2-[2-(11,12-dihydro-10H-benzo[b][1]benzazocin-5-yl)ethoxy]ethanol?
2-[2-(11,12-dihydro-10H-benzo[b][1]benzazocin-5-yl)ethoxy]ethanol has a molecular weight of 297.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(11,12-dihydro-10H-benzo[b][1]benzazocin-5-yl)ethoxy]ethanol is sourced from PubChem (CID 18965318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).