4-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethoxy]-4-oxobutanoic acid

Name: 4-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethoxy]-4-oxobutanoic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₂₄O₇ — CID 145363038

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethoxy]-4-oxobutanoic acid

SMILESCOc1ccccc1C(COC(=O)CCC(=O)O)OC1CCOCC1

InChIInChI=1S/C18H24O7/c1-22-15-5-3-2-4-14(15)16(25-13-8-10-23-11-9-13)12-24-18(21)7-6-17(19)20/h2-5,13,16H,6-12H2,1H3,(H,19,20)

InChIKeyKDOOPURHOFZIIO-UHFFFAOYSA-N

MW352.38 g/mol

LogP2.34

Rot. Bonds9

About 4-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethoxy]-4-oxobutanoic acid

4-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethoxy]-4-oxobutanoic acid (PubChem CID 145363038) has the molecular formula C₁₈H₂₄O₇ and a molecular weight of 352.38 g/mol. Its IUPAC name is 4-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethoxy]-4-oxobutanoic acid.

Molecular Properties

Compound Name	4-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethoxy]-4-oxobutanoic acid
PubChem CID	145363038
Molecular Formula	C₁₈H₂₄O₇
Molecular Weight	352.38 g/mol
Exact Mass	352.15
IUPAC Name	4-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethoxy]-4-oxobutanoic acid
SMILES	COc1ccccc1C(COC(=O)CCC(=O)O)OC1CCOCC1
InChI	InChI=1S/C18H24O7/c1-22-15-5-3-2-4-14(15)16(25-13-8-10-23-11-9-13)12-24-18(21)7-6-17(19)20/h2-5,13,16H,6-12H2,1H3,(H,19,20)
InChIKey	KDOOPURHOFZIIO-UHFFFAOYSA-N
XLogP	2.34
TPSA	91.29 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	9
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.38
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethoxy]-4-oxobutanoic acid?

The IUPAC name of 4-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethoxy]-4-oxobutanoic acid (CID 145363038) is 4-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethoxy]-4-oxobutanoic acid.

What is the SMILES notation for 4-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethoxy]-4-oxobutanoic acid?

The canonical SMILES for 4-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethoxy]-4-oxobutanoic acid is COc1ccccc1C(COC(=O)CCC(=O)O)OC1CCOCC1.

What is the InChIKey of 4-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethoxy]-4-oxobutanoic acid?

The InChIKey is KDOOPURHOFZIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O7/c1-22-15-5-3-2-4-14(15)16(25-13-8-10-23-11-9-13)12-24-18(21)7-6-17(19)20/h2-5,13,16H,6-12H2,1H3,(H,19,20).

What are the key properties of 4-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethoxy]-4-oxobutanoic acid?

4-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethoxy]-4-oxobutanoic acid has a molecular weight of 352.38 g/mol, XLogP of 2.34, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethoxy]-4-oxobutanoic acid is sourced from PubChem (CID 145363038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 145363038 — identifiers, structure, computed properties (public domain)

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