2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-3-methoxybenzaldehyde

C18H15NO5 — CID 2991897

IUPAC2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-3-methoxybenzaldehyde
SMILESCOc1cccc(C=O)c1OCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H15NO5/c1-23-15-8-4-5-12(11-20)16(15)24-10-9-19-17(21)13-6-2-3-7-14(13)18(19)22/h2-8,11H,9-10H2,1H3
InChIKeyUKSOQBFWPNTWGF-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.18
Rot. Bonds6

About 2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-3-methoxybenzaldehyde

2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-3-methoxybenzaldehyde (PubChem CID 2991897) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is 2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-3-methoxybenzaldehyde.

Molecular Properties

Compound Name2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-3-methoxybenzaldehyde
PubChem CID2991897
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-3-methoxybenzaldehyde
SMILESCOc1cccc(C=O)c1OCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H15NO5/c1-23-15-8-4-5-12(11-20)16(15)24-10-9-19-17(21)13-6-2-3-7-14(13)18(19)22/h2-8,11H,9-10H2,1H3
InChIKeyUKSOQBFWPNTWGF-UHFFFAOYSA-N
XLogP2.18
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-3-methoxybenzaldehyde?
The IUPAC name of 2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-3-methoxybenzaldehyde (CID 2991897) is 2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-3-methoxybenzaldehyde.
What is the SMILES notation for 2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-3-methoxybenzaldehyde?
The canonical SMILES for 2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-3-methoxybenzaldehyde is COc1cccc(C=O)c1OCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-3-methoxybenzaldehyde?
The InChIKey is UKSOQBFWPNTWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-23-15-8-4-5-12(11-20)16(15)24-10-9-19-17(21)13-6-2-3-7-14(13)18(19)22/h2-8,11H,9-10H2,1H3.
What are the key properties of 2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-3-methoxybenzaldehyde?
2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-3-methoxybenzaldehyde has a molecular weight of 325.32 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-3-methoxybenzaldehyde is sourced from PubChem (CID 2991897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).