5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ylmethoxymethanol

C18H19NO2 — CID 175107347

IUPAC5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ylmethoxymethanol
SMILESOCOCN1CCc2cccc3c2C1Cc1ccccc1-3
InChIInChI=1S/C18H19NO2/c20-12-21-11-19-9-8-13-5-3-7-16-15-6-2-1-4-14(15)10-17(19)18(13)16/h1-7,17,20H,8-12H2
InChIKeyALLNSJHPBRATKN-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.73
Rot. Bonds3

About 5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ylmethoxymethanol

5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ylmethoxymethanol (PubChem CID 175107347) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ylmethoxymethanol.

Molecular Properties

Compound Name5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ylmethoxymethanol
PubChem CID175107347
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ylmethoxymethanol
SMILESOCOCN1CCc2cccc3c2C1Cc1ccccc1-3
InChIInChI=1S/C18H19NO2/c20-12-21-11-19-9-8-13-5-3-7-16-15-6-2-1-4-14(15)10-17(19)18(13)16/h1-7,17,20H,8-12H2
InChIKeyALLNSJHPBRATKN-UHFFFAOYSA-N
XLogP2.73
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ylmethoxymethanol?
The IUPAC name of 5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ylmethoxymethanol (CID 175107347) is 5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ylmethoxymethanol.
What is the SMILES notation for 5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ylmethoxymethanol?
The canonical SMILES for 5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ylmethoxymethanol is OCOCN1CCc2cccc3c2C1Cc1ccccc1-3.
What is the InChIKey of 5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ylmethoxymethanol?
The InChIKey is ALLNSJHPBRATKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c20-12-21-11-19-9-8-13-5-3-7-16-15-6-2-1-4-14(15)10-17(19)18(13)16/h1-7,17,20H,8-12H2.
What are the key properties of 5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ylmethoxymethanol?
5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ylmethoxymethanol has a molecular weight of 281.36 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ylmethoxymethanol is sourced from PubChem (CID 175107347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).