ethyl 6-ethoxy-5-(2-ethoxy-6-ethoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate

C30H30O6 — CID 166059456

IUPACethyl 6-ethoxy-5-(2-ethoxy-6-ethoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
SMILESCCOC(=O)c1ccc2c(-c3c(OCC)ccc4cc(C(=O)OCC)ccc34)c(OCC)ccc2c1
InChIInChI=1S/C30H30O6/c1-5-33-25-15-11-19-17-21(29(31)35-7-3)9-13-23(19)27(25)28-24-14-10-22(30(32)36-8-4)18-20(24)12-16-26(28)34-6-2/h9-18H,5-8H2,1-4H3
InChIKeyZZSPKADNSCNKPP-UHFFFAOYSA-N
MW486.56 g/mol
LogP6.81
Rot. Bonds9

About ethyl 6-ethoxy-5-(2-ethoxy-6-ethoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate

ethyl 6-ethoxy-5-(2-ethoxy-6-ethoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate (PubChem CID 166059456) has the molecular formula C30H30O6 and a molecular weight of 486.56 g/mol. Its IUPAC name is ethyl 6-ethoxy-5-(2-ethoxy-6-ethoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethoxy-5-(2-ethoxy-6-ethoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
PubChem CID166059456
Molecular FormulaC30H30O6
Molecular Weight486.56 g/mol
Exact Mass486.20
IUPAC Nameethyl 6-ethoxy-5-(2-ethoxy-6-ethoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
SMILESCCOC(=O)c1ccc2c(-c3c(OCC)ccc4cc(C(=O)OCC)ccc34)c(OCC)ccc2c1
InChIInChI=1S/C30H30O6/c1-5-33-25-15-11-19-17-21(29(31)35-7-3)9-13-23(19)27(25)28-24-14-10-22(30(32)36-8-4)18-20(24)12-16-26(28)34-6-2/h9-18H,5-8H2,1-4H3
InChIKeyZZSPKADNSCNKPP-UHFFFAOYSA-N
XLogP6.81
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.56
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 6-ethoxy-5-(2-ethoxy-6-ethoxycarbonylnaphthalen-1-yl)naphthalene-2-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

5-(6-carboxy-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carboxylic acid
CID 162348534
5-(6-carbonochloridoyl-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carbonyl chloride
CID 101085823
ethyl 3,4-diethoxybenzoate
CID 586407
ethyl 6-aminonaphthalene-2-carboxylate
CID 58111738
ethyl 3-ethoxy-4-(2-oxopropyl)benzoate
CID 134642967
ethyl 4-ethoxyquinoline-7-carboxylate
CID 91667888
ethyl 6,7-dichloronaphthalene-2-carboxylate
CID 10588016
ethyl 6-iodonaphthalene-2-carboxylate
CID 58151998
2-O-[2-(6-acetylnaphthalene-2-carbonyl)oxyethyl] 6-O-ethyl naphthalene-2,6-dicarboxylate
CID 67965026
ethyl 3-(dimethylcarbamoyl)-4-ethoxybenzoate
CID 68872362
ethyl 3,4-bis(ethoxycarbonyloxy)benzoate
CID 166550194
(4-ethoxy-2-fluorophenyl) 5,6-difluoronaphthalene-2-carboxylate
CID 139854348

Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethoxy-5-(2-ethoxy-6-ethoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate?
The IUPAC name of ethyl 6-ethoxy-5-(2-ethoxy-6-ethoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate (CID 166059456) is ethyl 6-ethoxy-5-(2-ethoxy-6-ethoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate.
What is the SMILES notation for ethyl 6-ethoxy-5-(2-ethoxy-6-ethoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate?
The canonical SMILES for ethyl 6-ethoxy-5-(2-ethoxy-6-ethoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate is CCOC(=O)c1ccc2c(-c3c(OCC)ccc4cc(C(=O)OCC)ccc34)c(OCC)ccc2c1.
What is the InChIKey of ethyl 6-ethoxy-5-(2-ethoxy-6-ethoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate?
The InChIKey is ZZSPKADNSCNKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O6/c1-5-33-25-15-11-19-17-21(29(31)35-7-3)9-13-23(19)27(25)28-24-14-10-22(30(32)36-8-4)18-20(24)12-16-26(28)34-6-2/h9-18H,5-8H2,1-4H3.
What are the key properties of ethyl 6-ethoxy-5-(2-ethoxy-6-ethoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate?
ethyl 6-ethoxy-5-(2-ethoxy-6-ethoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate has a molecular weight of 486.56 g/mol, XLogP of 6.81, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethoxy-5-(2-ethoxy-6-ethoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate is sourced from PubChem (CID 166059456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).