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

C19H24O4 — CID 159629357

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 Nameethyl 4-(2-propoxyethoxymethyl)naphthalene-1-carboxylate
PubChem CID159629357
Molecular FormulaC19H24O4
Molecular Weight316.40 g/mol
Exact Mass316.17
IUPAC Nameethyl 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
XLogP3.96
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 4-(2-propoxyethoxymethyl)naphthalene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[2-(2-iodophosphanyloxyethoxy)ethoxymethyl]naphthalene-1-carboxylate
CID 134275218
dipropyl naphthalene-1,4-dicarboxylate
CID 139070160
ethyl 2-amino-4-(2-ethoxyethoxymethyl)-3-methylbenzoate
CID 79071349
propyl 2-amino-4-(2-ethoxyethoxymethyl)-3-methylbenzoate
CID 79082161
ethyl chrysene-1-carboxylate
CID 86251232
1,5-bis(ethoxycarbonyl)naphthalene-2-carboxylic acid
CID 20562968
2-propoxyethyl 2-sulfanylbenzoate
CID 107018768
methyl 4-(aminomethyl)naphthalene-1-carboxylate;hydrochloride
CID 67187321
ethyl 4-(3-methylpyrazin-2-yl)naphthalene-1-carboxylate
CID 174669716
ethyl 5-amino-2-(2-propoxyethoxy)benzoate
CID 55232457
2-propoxyethyl anthracene-9-carboxylate
CID 86199632
ethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 10448213

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).