1,4-dioxan-2-yl-(6-methyl-1H-indol-3-yl)methanone

C14H15NO3 — CID 62799734

IUPAC1,4-dioxan-2-yl-(6-methyl-1H-indol-3-yl)methanone
SMILESCc1ccc2c(C(=O)C3COCCO3)c[nH]c2c1
InChIInChI=1S/C14H15NO3/c1-9-2-3-10-11(7-15-12(10)6-9)14(16)13-8-17-4-5-18-13/h2-3,6-7,13,15H,4-5,8H2,1H3
InChIKeyLXQMLLWITWSYDI-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.07
Rot. Bonds2

About 1,4-dioxan-2-yl-(6-methyl-1H-indol-3-yl)methanone

1,4-dioxan-2-yl-(6-methyl-1H-indol-3-yl)methanone (PubChem CID 62799734) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1,4-dioxan-2-yl-(6-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name1,4-dioxan-2-yl-(6-methyl-1H-indol-3-yl)methanone
PubChem CID62799734
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name1,4-dioxan-2-yl-(6-methyl-1H-indol-3-yl)methanone
SMILESCc1ccc2c(C(=O)C3COCCO3)c[nH]c2c1
InChIInChI=1S/C14H15NO3/c1-9-2-3-10-11(7-15-12(10)6-9)14(16)13-8-17-4-5-18-13/h2-3,6-7,13,15H,4-5,8H2,1H3
InChIKeyLXQMLLWITWSYDI-UHFFFAOYSA-N
XLogP2.07
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl-(6-methyl-1H-indol-3-yl)methanone?
The IUPAC name of 1,4-dioxan-2-yl-(6-methyl-1H-indol-3-yl)methanone (CID 62799734) is 1,4-dioxan-2-yl-(6-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for 1,4-dioxan-2-yl-(6-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for 1,4-dioxan-2-yl-(6-methyl-1H-indol-3-yl)methanone is Cc1ccc2c(C(=O)C3COCCO3)c[nH]c2c1.
What is the InChIKey of 1,4-dioxan-2-yl-(6-methyl-1H-indol-3-yl)methanone?
The InChIKey is LXQMLLWITWSYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9-2-3-10-11(7-15-12(10)6-9)14(16)13-8-17-4-5-18-13/h2-3,6-7,13,15H,4-5,8H2,1H3.
What are the key properties of 1,4-dioxan-2-yl-(6-methyl-1H-indol-3-yl)methanone?
1,4-dioxan-2-yl-(6-methyl-1H-indol-3-yl)methanone has a molecular weight of 245.28 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-yl-(6-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 62799734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).