Ethyl 4-(2-propoxyethoxymethyl)naphthalene-1-carboxylate

Name: Ethyl 4-(2-propoxyethoxymethyl)naphthalene-1-carboxylate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₂₄O₄ — CID 159629357

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

IUPACethyl 4-(2-propoxyethoxymethyl)naphthalene-1-carboxylate

SMILESCCCOCCOCc1ccc(C(=O)OCC)c2ccccc12

InChIInChI=1S/C19H24O4/c1-3-11-21-12-13-22-14-15-9-10-18(19(20)23-4-2)17-8-6-5-7-16(15)17/h5-10H,3-4,11-14H2,1-2H3

InChIKeyWBMPZVFYDVMZQX-UHFFFAOYSA-N

MW316.40 g/mol

LogP3.96

Rot. Bonds9

About Ethyl 4-(2-propoxyethoxymethyl)naphthalene-1-carboxylate

Ethyl 4-(2-propoxyethoxymethyl)naphthalene-1-carboxylate (PubChem CID 159629357) has the molecular formula C₁₉H₂₄O₄ and a molecular weight of 316.40 g/mol. Its IUPAC name is ethyl 4-(2-propoxyethoxymethyl)naphthalene-1-carboxylate.

Molecular Properties

Compound Name	Ethyl 4-(2-propoxyethoxymethyl)naphthalene-1-carboxylate
PubChem CID	159629357
Molecular Formula	C₁₉H₂₄O₄
Molecular Weight	316.40 g/mol
Exact Mass	316.17
IUPAC Name	ethyl 4-(2-propoxyethoxymethyl)naphthalene-1-carboxylate
SMILES	CCCOCCOCc1ccc(C(=O)OCC)c2ccccc12
InChI	InChI=1S/C19H24O4/c1-3-11-21-12-13-22-14-15-9-10-18(19(20)23-4-2)17-8-6-5-7-16(15)17/h5-10H,3-4,11-14H2,1-2H3
InChIKey	WBMPZVFYDVMZQX-UHFFFAOYSA-N
XLogP	3.96
TPSA	44.76 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	9
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	316.40
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Ethyl 4-(2-propoxyethoxymethyl)naphthalene-1-carboxylate?

The IUPAC name of Ethyl 4-(2-propoxyethoxymethyl)naphthalene-1-carboxylate (CID 159629357) is ethyl 4-(2-propoxyethoxymethyl)naphthalene-1-carboxylate.

What is the SMILES notation for Ethyl 4-(2-propoxyethoxymethyl)naphthalene-1-carboxylate?

The canonical SMILES for Ethyl 4-(2-propoxyethoxymethyl)naphthalene-1-carboxylate is CCCOCCOCc1ccc(C(=O)OCC)c2ccccc12.

What is the InChIKey of Ethyl 4-(2-propoxyethoxymethyl)naphthalene-1-carboxylate?

The InChIKey is WBMPZVFYDVMZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O4/c1-3-11-21-12-13-22-14-15-9-10-18(19(20)23-4-2)17-8-6-5-7-16(15)17/h5-10H,3-4,11-14H2,1-2H3.

What are the key properties of Ethyl 4-(2-propoxyethoxymethyl)naphthalene-1-carboxylate?

Ethyl 4-(2-propoxyethoxymethyl)naphthalene-1-carboxylate has a molecular weight of 316.40 g/mol, XLogP of 3.96, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 4-(2-propoxyethoxymethyl)naphthalene-1-carboxylate is sourced from PubChem (CID 159629357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 159629357 — identifiers, structure, computed properties (public domain)

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