(4-ethoxynaphthalene-1-carbonyl) 4-ethoxynaphthalene-1-carboxylate

C26H22O5 — CID 88736257

IUPAC(4-ethoxynaphthalene-1-carbonyl) 4-ethoxynaphthalene-1-carboxylate
SMILESCCOc1ccc(C(=O)OC(=O)c2ccc(OCC)c3ccccc23)c2ccccc12
InChIInChI=1S/C26H22O5/c1-3-29-23-15-13-21(17-9-5-7-11-19(17)23)25(27)31-26(28)22-14-16-24(30-4-2)20-12-8-6-10-18(20)22/h5-16H,3-4H2,1-2H3
InChIKeyJUPVLHZDPZJNHH-UHFFFAOYSA-N
MW414.46 g/mol
LogP5.79
Rot. Bonds6

About (4-ethoxynaphthalene-1-carbonyl) 4-ethoxynaphthalene-1-carboxylate

(4-ethoxynaphthalene-1-carbonyl) 4-ethoxynaphthalene-1-carboxylate (PubChem CID 88736257) has the molecular formula C26H22O5 and a molecular weight of 414.46 g/mol. Its IUPAC name is (4-ethoxynaphthalene-1-carbonyl) 4-ethoxynaphthalene-1-carboxylate.

Molecular Properties

Compound Name(4-ethoxynaphthalene-1-carbonyl) 4-ethoxynaphthalene-1-carboxylate
PubChem CID88736257
Molecular FormulaC26H22O5
Molecular Weight414.46 g/mol
Exact Mass414.15
IUPAC Name(4-ethoxynaphthalene-1-carbonyl) 4-ethoxynaphthalene-1-carboxylate
SMILESCCOc1ccc(C(=O)OC(=O)c2ccc(OCC)c3ccccc23)c2ccccc12
InChIInChI=1S/C26H22O5/c1-3-29-23-15-13-21(17-9-5-7-11-19(17)23)25(27)31-26(28)22-14-16-24(30-4-2)20-12-8-6-10-18(20)22/h5-16H,3-4H2,1-2H3
InChIKeyJUPVLHZDPZJNHH-UHFFFAOYSA-N
XLogP5.79
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.46
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-ethoxynaphthalene-1-carboxamide;fluoromethane
CID 143061073
2-(4-propanoylnaphthalen-1-yl)oxyacetic acid
CID 154198459
(3-aminophenyl)-(4-ethoxynaphthalen-1-yl)methanone
CID 82263187
1-[4-(2-hydroxypropoxy)naphthalen-1-yl]propan-1-one
CID 3031026
(4-ethoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 45267043
1-(4-ethoxynaphthalen-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82263185
5-[(4-ethoxynaphthalene-1-carbothioyl)amino]pentanoic acid
CID 59052603
(4-chloronaphthalene-1-carbonyl) 4-chloronaphthalene-1-carboxylate
CID 57061694
(4-bromonaphthalene-1-carbonyl) 4-bromonaphthalene-1-carboxylate
CID 57234554
4-(4-ethoxynaphthalen-1-yl)butanoic acid
CID 82263167
methyl 3-ethoxy-2-methoxybenzoate
CID 82161720
2-ethoxybenzenecarboperoxoic acid
CID 22314606

Frequently Asked Questions

What is the IUPAC name of (4-ethoxynaphthalene-1-carbonyl) 4-ethoxynaphthalene-1-carboxylate?
The IUPAC name of (4-ethoxynaphthalene-1-carbonyl) 4-ethoxynaphthalene-1-carboxylate (CID 88736257) is (4-ethoxynaphthalene-1-carbonyl) 4-ethoxynaphthalene-1-carboxylate.
What is the SMILES notation for (4-ethoxynaphthalene-1-carbonyl) 4-ethoxynaphthalene-1-carboxylate?
The canonical SMILES for (4-ethoxynaphthalene-1-carbonyl) 4-ethoxynaphthalene-1-carboxylate is CCOc1ccc(C(=O)OC(=O)c2ccc(OCC)c3ccccc23)c2ccccc12.
What is the InChIKey of (4-ethoxynaphthalene-1-carbonyl) 4-ethoxynaphthalene-1-carboxylate?
The InChIKey is JUPVLHZDPZJNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O5/c1-3-29-23-15-13-21(17-9-5-7-11-19(17)23)25(27)31-26(28)22-14-16-24(30-4-2)20-12-8-6-10-18(20)22/h5-16H,3-4H2,1-2H3.
What are the key properties of (4-ethoxynaphthalene-1-carbonyl) 4-ethoxynaphthalene-1-carboxylate?
(4-ethoxynaphthalene-1-carbonyl) 4-ethoxynaphthalene-1-carboxylate has a molecular weight of 414.46 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxynaphthalene-1-carbonyl) 4-ethoxynaphthalene-1-carboxylate is sourced from PubChem (CID 88736257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).