3-ethoxycarbonyl-1,4-di(propan-2-yloxy)naphthalene-2-carboxylic acid

C20H24O6 — CID 68689892

IUPAC3-ethoxycarbonyl-1,4-di(propan-2-yloxy)naphthalene-2-carboxylic acid
SMILESCCOC(=O)c1c(C(=O)O)c(OC(C)C)c2ccccc2c1OC(C)C
InChIInChI=1S/C20H24O6/c1-6-24-20(23)16-15(19(21)22)17(25-11(2)3)13-9-7-8-10-14(13)18(16)26-12(4)5/h7-12H,6H2,1-5H3,(H,21,22)
InChIKeyFVXYTLXRGGFQDT-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.29
Rot. Bonds7

About 3-ethoxycarbonyl-1,4-di(propan-2-yloxy)naphthalene-2-carboxylic acid

3-ethoxycarbonyl-1,4-di(propan-2-yloxy)naphthalene-2-carboxylic acid (PubChem CID 68689892) has the molecular formula C20H24O6 and a molecular weight of 360.41 g/mol. Its IUPAC name is 3-ethoxycarbonyl-1,4-di(propan-2-yloxy)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-ethoxycarbonyl-1,4-di(propan-2-yloxy)naphthalene-2-carboxylic acid
PubChem CID68689892
Molecular FormulaC20H24O6
Molecular Weight360.41 g/mol
Exact Mass360.16
IUPAC Name3-ethoxycarbonyl-1,4-di(propan-2-yloxy)naphthalene-2-carboxylic acid
SMILESCCOC(=O)c1c(C(=O)O)c(OC(C)C)c2ccccc2c1OC(C)C
InChIInChI=1S/C20H24O6/c1-6-24-20(23)16-15(19(21)22)17(25-11(2)3)13-9-7-8-10-14(13)18(16)26-12(4)5/h7-12H,6H2,1-5H3,(H,21,22)
InChIKeyFVXYTLXRGGFQDT-UHFFFAOYSA-N
XLogP4.29
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-ethoxycarbonyl-1,4-di(propan-2-yloxy)naphthalene-2-carboxylic acid 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

diethyl phenanthrene-9,10-dicarboxylate
CID 135029572
ethyl 3-propan-2-yloxy-1H-indole-2-carboxylate
CID 67372347
diethyl 2-naphthalen-1-ylazulene-1,3-dicarboxylate
CID 10834680
ethyl 2-benzhydryloxynaphthalene-1-carboxylate
CID 134961368
tetraethyl octacyclo[16.16.0.02,15.05,14.06,11.019,32.022,31.023,28]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene-3,4,20,21-tetracarboxylate
CID 134962471
ethyl 1,3,4-trimethyltriphenylene-2-carboxylate
CID 71733797
ethyl 4-bromo-1,3-dimethoxynaphthalene-2-carboxylate
CID 97034479
ethyl 4-formyl-2,6-dimethyl-3-propan-2-yloxybenzoate
CID 87118168
ethyl 2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylate
CID 15722478
2-ethoxycarbonyl-4-methylbenzene-1,3-dicarboxylic acid
CID 157327254
1,5-bis(ethoxycarbonyl)naphthalene-2-carboxylic acid
CID 20562968
ethyl 2-hydroxy-4-phenylnaphthalene-1-carboxylate
CID 13200815

Frequently Asked Questions

What is the IUPAC name of 3-ethoxycarbonyl-1,4-di(propan-2-yloxy)naphthalene-2-carboxylic acid?
The IUPAC name of 3-ethoxycarbonyl-1,4-di(propan-2-yloxy)naphthalene-2-carboxylic acid (CID 68689892) is 3-ethoxycarbonyl-1,4-di(propan-2-yloxy)naphthalene-2-carboxylic acid.
What is the SMILES notation for 3-ethoxycarbonyl-1,4-di(propan-2-yloxy)naphthalene-2-carboxylic acid?
The canonical SMILES for 3-ethoxycarbonyl-1,4-di(propan-2-yloxy)naphthalene-2-carboxylic acid is CCOC(=O)c1c(C(=O)O)c(OC(C)C)c2ccccc2c1OC(C)C.
What is the InChIKey of 3-ethoxycarbonyl-1,4-di(propan-2-yloxy)naphthalene-2-carboxylic acid?
The InChIKey is FVXYTLXRGGFQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O6/c1-6-24-20(23)16-15(19(21)22)17(25-11(2)3)13-9-7-8-10-14(13)18(16)26-12(4)5/h7-12H,6H2,1-5H3,(H,21,22).
What are the key properties of 3-ethoxycarbonyl-1,4-di(propan-2-yloxy)naphthalene-2-carboxylic acid?
3-ethoxycarbonyl-1,4-di(propan-2-yloxy)naphthalene-2-carboxylic acid has a molecular weight of 360.41 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxycarbonyl-1,4-di(propan-2-yloxy)naphthalene-2-carboxylic acid is sourced from PubChem (CID 68689892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).