2-[2-[5-(3,4-dihydroxyphenyl)-2-oxopentoxy]ethoxy]acetic acid

Name: 2-[2-[5-(3,4-dihydroxyphenyl)-2-oxopentoxy]ethoxy]acetic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₂₀O₇ — CID 159921575

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

IUPAC2-[2-[5-(3,4-dihydroxyphenyl)-2-oxopentoxy]ethoxy]acetic acid

SMILESO=C(O)COCCOCC(=O)CCCc1ccc(O)c(O)c1

InChIInChI=1S/C15H20O7/c16-12(9-21-6-7-22-10-15(19)20)3-1-2-11-4-5-13(17)14(18)8-11/h4-5,8,17-18H,1-3,6-7,9-10H2,(H,19,20)

InChIKeyNYLSPFKYSLCPJM-UHFFFAOYSA-N

MW312.32 g/mol

LogP1.11

Rot. Bonds11

About 2-[2-[5-(3,4-dihydroxyphenyl)-2-oxopentoxy]ethoxy]acetic acid

2-[2-[5-(3,4-dihydroxyphenyl)-2-oxopentoxy]ethoxy]acetic acid (PubChem CID 159921575) has the molecular formula C₁₅H₂₀O₇ and a molecular weight of 312.32 g/mol. Its IUPAC name is 2-[2-[5-(3,4-dihydroxyphenyl)-2-oxopentoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name	2-[2-[5-(3,4-dihydroxyphenyl)-2-oxopentoxy]ethoxy]acetic acid
PubChem CID	159921575
Molecular Formula	C₁₅H₂₀O₇
Molecular Weight	312.32 g/mol
Exact Mass	312.12
IUPAC Name	2-[2-[5-(3,4-dihydroxyphenyl)-2-oxopentoxy]ethoxy]acetic acid
SMILES	O=C(O)COCCOCC(=O)CCCc1ccc(O)c(O)c1
InChI	InChI=1S/C15H20O7/c16-12(9-21-6-7-22-10-15(19)20)3-1-2-11-4-5-13(17)14(18)8-11/h4-5,8,17-18H,1-3,6-7,9-10H2,(H,19,20)
InChIKey	NYLSPFKYSLCPJM-UHFFFAOYSA-N
XLogP	1.11
TPSA	113.29 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	11
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	312.32
LogP ≤ 5	1.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(3,4-dihydroxyphenyl)-2-oxopentoxy]ethoxy]acetic acid?

The IUPAC name of 2-[2-[5-(3,4-dihydroxyphenyl)-2-oxopentoxy]ethoxy]acetic acid (CID 159921575) is 2-[2-[5-(3,4-dihydroxyphenyl)-2-oxopentoxy]ethoxy]acetic acid.

What is the SMILES notation for 2-[2-[5-(3,4-dihydroxyphenyl)-2-oxopentoxy]ethoxy]acetic acid?

The canonical SMILES for 2-[2-[5-(3,4-dihydroxyphenyl)-2-oxopentoxy]ethoxy]acetic acid is O=C(O)COCCOCC(=O)CCCc1ccc(O)c(O)c1.

What is the InChIKey of 2-[2-[5-(3,4-dihydroxyphenyl)-2-oxopentoxy]ethoxy]acetic acid?

The InChIKey is NYLSPFKYSLCPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O7/c16-12(9-21-6-7-22-10-15(19)20)3-1-2-11-4-5-13(17)14(18)8-11/h4-5,8,17-18H,1-3,6-7,9-10H2,(H,19,20).

What are the key properties of 2-[2-[5-(3,4-dihydroxyphenyl)-2-oxopentoxy]ethoxy]acetic acid?

2-[2-[5-(3,4-dihydroxyphenyl)-2-oxopentoxy]ethoxy]acetic acid has a molecular weight of 312.32 g/mol, XLogP of 1.11, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[5-(3,4-dihydroxyphenyl)-2-oxopentoxy]ethoxy]acetic acid is sourced from PubChem (CID 159921575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 159921575 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.