10-[2-(1,3-dioxan-2-yl)-6-methylphenyl]-9H-acridine

C24H23NO2 — CID 102051460

IUPAC10-[2-(1,3-dioxan-2-yl)-6-methylphenyl]-9H-acridine
SMILESCc1cccc(C2OCCCO2)c1N1c2ccccc2Cc2ccccc21
InChIInChI=1S/C24H23NO2/c1-17-8-6-11-20(24-26-14-7-15-27-24)23(17)25-21-12-4-2-9-18(21)16-19-10-3-5-13-22(19)25/h2-6,8-13,24H,7,14-16H2,1H3
InChIKeyKUYBUTSQMAQBCJ-UHFFFAOYSA-N
MW357.45 g/mol
LogP5.80
Rot. Bonds2

About 10-[2-(1,3-dioxan-2-yl)-6-methylphenyl]-9H-acridine

10-[2-(1,3-dioxan-2-yl)-6-methylphenyl]-9H-acridine (PubChem CID 102051460) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is 10-[2-(1,3-dioxan-2-yl)-6-methylphenyl]-9H-acridine.

Molecular Properties

Compound Name10-[2-(1,3-dioxan-2-yl)-6-methylphenyl]-9H-acridine
PubChem CID102051460
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name10-[2-(1,3-dioxan-2-yl)-6-methylphenyl]-9H-acridine
SMILESCc1cccc(C2OCCCO2)c1N1c2ccccc2Cc2ccccc21
InChIInChI=1S/C24H23NO2/c1-17-8-6-11-20(24-26-14-7-15-27-24)23(17)25-21-12-4-2-9-18(21)16-19-10-3-5-13-22(19)25/h2-6,8-13,24H,7,14-16H2,1H3
InChIKeyKUYBUTSQMAQBCJ-UHFFFAOYSA-N
XLogP5.80
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-[2-(1,3-dioxan-2-yl)-6-methylphenyl]-9H-acridine?
The IUPAC name of 10-[2-(1,3-dioxan-2-yl)-6-methylphenyl]-9H-acridine (CID 102051460) is 10-[2-(1,3-dioxan-2-yl)-6-methylphenyl]-9H-acridine.
What is the SMILES notation for 10-[2-(1,3-dioxan-2-yl)-6-methylphenyl]-9H-acridine?
The canonical SMILES for 10-[2-(1,3-dioxan-2-yl)-6-methylphenyl]-9H-acridine is Cc1cccc(C2OCCCO2)c1N1c2ccccc2Cc2ccccc21.
What is the InChIKey of 10-[2-(1,3-dioxan-2-yl)-6-methylphenyl]-9H-acridine?
The InChIKey is KUYBUTSQMAQBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-17-8-6-11-20(24-26-14-7-15-27-24)23(17)25-21-12-4-2-9-18(21)16-19-10-3-5-13-22(19)25/h2-6,8-13,24H,7,14-16H2,1H3.
What are the key properties of 10-[2-(1,3-dioxan-2-yl)-6-methylphenyl]-9H-acridine?
10-[2-(1,3-dioxan-2-yl)-6-methylphenyl]-9H-acridine has a molecular weight of 357.45 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(1,3-dioxan-2-yl)-6-methylphenyl]-9H-acridine is sourced from PubChem (CID 102051460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).