Prop-2-enyl 7-(diethoxyphosphorylmethyl)naphthalene-2-carboxylate

Name: Prop-2-enyl 7-(diethoxyphosphorylmethyl)naphthalene-2-carboxylate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₂₃O₅P — CID 168982141

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

IUPACprop-2-enyl 7-(diethoxyphosphorylmethyl)naphthalene-2-carboxylate

SMILESC=CCOC(=O)c1ccc2ccc(CP(=O)(OCC)OCC)cc2c1

InChIInChI=1S/C19H23O5P/c1-4-11-22-19(20)17-10-9-16-8-7-15(12-18(16)13-17)14-25(21,23-5-2)24-6-3/h4,7-10,12-13H,1,5-6,11,14H2,2-3H3

InChIKeyZOMHNFAXGUVNFT-UHFFFAOYSA-N

MW362.36 g/mol

LogP4.95

Rot. Bonds9

About Prop-2-enyl 7-(diethoxyphosphorylmethyl)naphthalene-2-carboxylate

Prop-2-enyl 7-(diethoxyphosphorylmethyl)naphthalene-2-carboxylate (PubChem CID 168982141) has the molecular formula C₁₉H₂₃O₅P and a molecular weight of 362.36 g/mol. Its IUPAC name is prop-2-enyl 7-(diethoxyphosphorylmethyl)naphthalene-2-carboxylate.

Molecular Properties

Compound Name	Prop-2-enyl 7-(diethoxyphosphorylmethyl)naphthalene-2-carboxylate
PubChem CID	168982141
Molecular Formula	C₁₉H₂₃O₅P
Molecular Weight	362.36 g/mol
Exact Mass	362.13
IUPAC Name	prop-2-enyl 7-(diethoxyphosphorylmethyl)naphthalene-2-carboxylate
SMILES	C=CCOC(=O)c1ccc2ccc(CP(=O)(OCC)OCC)cc2c1
InChI	InChI=1S/C19H23O5P/c1-4-11-22-19(20)17-10-9-16-8-7-15(12-18(16)13-17)14-25(21,23-5-2)24-6-3/h4,7-10,12-13H,1,5-6,11,14H2,2-3H3
InChIKey	ZOMHNFAXGUVNFT-UHFFFAOYSA-N
XLogP	4.95
TPSA	61.83 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	9
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.36
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Prop-2-enyl 7-(diethoxyphosphorylmethyl)naphthalene-2-carboxylate?

The IUPAC name of Prop-2-enyl 7-(diethoxyphosphorylmethyl)naphthalene-2-carboxylate (CID 168982141) is prop-2-enyl 7-(diethoxyphosphorylmethyl)naphthalene-2-carboxylate.

What is the SMILES notation for Prop-2-enyl 7-(diethoxyphosphorylmethyl)naphthalene-2-carboxylate?

The canonical SMILES for Prop-2-enyl 7-(diethoxyphosphorylmethyl)naphthalene-2-carboxylate is C=CCOC(=O)c1ccc2ccc(CP(=O)(OCC)OCC)cc2c1.

What is the InChIKey of Prop-2-enyl 7-(diethoxyphosphorylmethyl)naphthalene-2-carboxylate?

The InChIKey is ZOMHNFAXGUVNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23O5P/c1-4-11-22-19(20)17-10-9-16-8-7-15(12-18(16)13-17)14-25(21,23-5-2)24-6-3/h4,7-10,12-13H,1,5-6,11,14H2,2-3H3.

What are the key properties of Prop-2-enyl 7-(diethoxyphosphorylmethyl)naphthalene-2-carboxylate?

Prop-2-enyl 7-(diethoxyphosphorylmethyl)naphthalene-2-carboxylate has a molecular weight of 362.36 g/mol, XLogP of 4.95, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Prop-2-enyl 7-(diethoxyphosphorylmethyl)naphthalene-2-carboxylate is sourced from PubChem (CID 168982141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 168982141 — identifiers, structure, computed properties (public domain)

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