(2-formylnaphthalen-1-yl) 4-ethoxybenzoate

C20H16O4 — CID 23011341

IUPAC(2-formylnaphthalen-1-yl) 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)Oc2c(C=O)ccc3ccccc23)cc1
InChIInChI=1S/C20H16O4/c1-2-23-17-11-9-15(10-12-17)20(22)24-19-16(13-21)8-7-14-5-3-4-6-18(14)19/h3-13H,2H2,1H3
InChIKeyTULSXOQBTCYHDN-UHFFFAOYSA-N
MW320.34 g/mol
LogP4.27
Rot. Bonds5

About (2-formylnaphthalen-1-yl) 4-ethoxybenzoate

(2-formylnaphthalen-1-yl) 4-ethoxybenzoate (PubChem CID 23011341) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is (2-formylnaphthalen-1-yl) 4-ethoxybenzoate.

Molecular Properties

Compound Name(2-formylnaphthalen-1-yl) 4-ethoxybenzoate
PubChem CID23011341
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Name(2-formylnaphthalen-1-yl) 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)Oc2c(C=O)ccc3ccccc23)cc1
InChIInChI=1S/C20H16O4/c1-2-23-17-11-9-15(10-12-17)20(22)24-19-16(13-21)8-7-14-5-3-4-6-18(14)19/h3-13H,2H2,1H3
InChIKeyTULSXOQBTCYHDN-UHFFFAOYSA-N
XLogP4.27
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-formylnaphthalen-1-yl) 4-(2-phenoxyethoxy)benzoate
CID 23012019
[1-[2-(4-propoxybenzoyl)oxynaphthalen-1-yl]naphthalen-2-yl] 4-propoxybenzoate
CID 158022369
(1-formylnaphthalen-2-yl) 4-methoxybenzoate
CID 4778907
7-ethoxynaphthalene-1-carbaldehyde
CID 123261144
(2-ethoxyphenyl) 4-ethoxybenzoate
CID 176892652
(4-methoxyphenyl) 4-ethoxybenzoate
CID 23011327
1-(4-ethoxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 2880362
[4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-ethoxybenzoate
CID 58003994
(4-ethoxyphenyl) 4-methoxycarbonyloxybenzoate
CID 14534505
[4-[3-[4-(4-ethoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-ethoxybenzoate
CID 143295267
[1-[[(2-phenoxyacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate
CID 4171408
[1-[[(2-phenylacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate
CID 3794929

Frequently Asked Questions

What is the IUPAC name of (2-formylnaphthalen-1-yl) 4-ethoxybenzoate?
The IUPAC name of (2-formylnaphthalen-1-yl) 4-ethoxybenzoate (CID 23011341) is (2-formylnaphthalen-1-yl) 4-ethoxybenzoate.
What is the SMILES notation for (2-formylnaphthalen-1-yl) 4-ethoxybenzoate?
The canonical SMILES for (2-formylnaphthalen-1-yl) 4-ethoxybenzoate is CCOc1ccc(C(=O)Oc2c(C=O)ccc3ccccc23)cc1.
What is the InChIKey of (2-formylnaphthalen-1-yl) 4-ethoxybenzoate?
The InChIKey is TULSXOQBTCYHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O4/c1-2-23-17-11-9-15(10-12-17)20(22)24-19-16(13-21)8-7-14-5-3-4-6-18(14)19/h3-13H,2H2,1H3.
What are the key properties of (2-formylnaphthalen-1-yl) 4-ethoxybenzoate?
(2-formylnaphthalen-1-yl) 4-ethoxybenzoate has a molecular weight of 320.34 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-formylnaphthalen-1-yl) 4-ethoxybenzoate is sourced from PubChem (CID 23011341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).