5-(6-carboxy-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carboxylic acid

C26H22O6 — CID 162348534

IUPAC5-(6-carboxy-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carboxylic acid
SMILESCCOc1ccc2cc(C(=O)O)ccc2c1-c1c(OCC)ccc2cc(C(=O)O)ccc12
InChIInChI=1S/C26H22O6/c1-3-31-21-11-7-15-13-17(25(27)28)5-9-19(15)23(21)24-20-10-6-18(26(29)30)14-16(20)8-12-22(24)32-4-2/h5-14H,3-4H2,1-2H3,(H,27,28)(H,29,30)
InChIKeyIXQFOJSSOCMTQK-UHFFFAOYSA-N
MW430.46 g/mol
LogP5.85
Rot. Bonds7

About 5-(6-carboxy-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carboxylic acid

5-(6-carboxy-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carboxylic acid (PubChem CID 162348534) has the molecular formula C26H22O6 and a molecular weight of 430.46 g/mol. Its IUPAC name is 5-(6-carboxy-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name5-(6-carboxy-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carboxylic acid
PubChem CID162348534
Molecular FormulaC26H22O6
Molecular Weight430.46 g/mol
Exact Mass430.14
IUPAC Name5-(6-carboxy-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carboxylic acid
SMILESCCOc1ccc2cc(C(=O)O)ccc2c1-c1c(OCC)ccc2cc(C(=O)O)ccc12
InChIInChI=1S/C26H22O6/c1-3-31-21-11-7-15-13-17(25(27)28)5-9-19(15)23(21)24-20-10-6-18(26(29)30)14-16(20)8-12-22(24)32-4-2/h5-14H,3-4H2,1-2H3,(H,27,28)(H,29,30)
InChIKeyIXQFOJSSOCMTQK-UHFFFAOYSA-N
XLogP5.85
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.46
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(6-carbonochloridoyl-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carbonyl chloride
CID 101085823
ethyl 6-ethoxy-5-(2-ethoxy-6-ethoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
CID 166059456
4-(4,6-dicarboxy-2-ethoxynaphthalen-1-yl)-3-ethoxynaphthalene-1,7-dicarboxylic acid
CID 102048418
1-ethoxyisoquinoline-6-carboxylic acid
CID 82569742
4-ethoxy-3-(4-methoxyphenyl)benzoic acid
CID 110282209
4-ethoxy-3-formylbenzoic acid
CID 40655849
4-ethoxy-3-ethynylbenzoic acid
CID 138986371
3-ethoxy-4-(4-methoxybutoxy)benzoic acid
CID 104647711
3-ethoxy-4-formylbenzoic acid
CID 21100742
CID 67200510
CID 67200510
bis(naphthalene-2,6-dicarboxylic acid);zirconium
CID 162353964
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115

Frequently Asked Questions

What is the IUPAC name of 5-(6-carboxy-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carboxylic acid?
The IUPAC name of 5-(6-carboxy-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carboxylic acid (CID 162348534) is 5-(6-carboxy-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 5-(6-carboxy-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carboxylic acid?
The canonical SMILES for 5-(6-carboxy-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carboxylic acid is CCOc1ccc2cc(C(=O)O)ccc2c1-c1c(OCC)ccc2cc(C(=O)O)ccc12.
What is the InChIKey of 5-(6-carboxy-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carboxylic acid?
The InChIKey is IXQFOJSSOCMTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O6/c1-3-31-21-11-7-15-13-17(25(27)28)5-9-19(15)23(21)24-20-10-6-18(26(29)30)14-16(20)8-12-22(24)32-4-2/h5-14H,3-4H2,1-2H3,(H,27,28)(H,29,30).
What are the key properties of 5-(6-carboxy-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carboxylic acid?
5-(6-carboxy-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carboxylic acid has a molecular weight of 430.46 g/mol, XLogP of 5.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-carboxy-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 162348534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).