(2,3-dimethylphenyl) 6-[1-[6-(2,3-dimethylphenoxy)carbonylnaphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate

C40H34O6 — CID 141401303

IUPAC(2,3-dimethylphenyl) 6-[1-[6-(2,3-dimethylphenoxy)carbonylnaphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate
SMILESCc1cccc(OC(=O)c2ccc3cc(OC(C)Oc4ccc5cc(C(=O)Oc6cccc(C)c6C)ccc5c4)ccc3c2)c1C
InChIInChI=1S/C40H34O6/c1-24-8-6-10-37(26(24)3)45-39(41)33-14-12-31-22-35(18-16-29(31)20-33)43-28(5)44-36-19-17-30-21-34(15-13-32(30)23-36)40(42)46-38-11-7-9-25(2)27(38)4/h6-23,28H,1-5H3
InChIKeyLRUCYHKDDXUABS-UHFFFAOYSA-N
MW610.71 g/mol
LogP9.47
Rot. Bonds8

About (2,3-dimethylphenyl) 6-[1-[6-(2,3-dimethylphenoxy)carbonylnaphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate

(2,3-dimethylphenyl) 6-[1-[6-(2,3-dimethylphenoxy)carbonylnaphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate (PubChem CID 141401303) has the molecular formula C40H34O6 and a molecular weight of 610.71 g/mol. Its IUPAC name is (2,3-dimethylphenyl) 6-[1-[6-(2,3-dimethylphenoxy)carbonylnaphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate.

Molecular Properties

Compound Name(2,3-dimethylphenyl) 6-[1-[6-(2,3-dimethylphenoxy)carbonylnaphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate
PubChem CID141401303
Molecular FormulaC40H34O6
Molecular Weight610.71 g/mol
Exact Mass610.24
IUPAC Name(2,3-dimethylphenyl) 6-[1-[6-(2,3-dimethylphenoxy)carbonylnaphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate
SMILESCc1cccc(OC(=O)c2ccc3cc(OC(C)Oc4ccc5cc(C(=O)Oc6cccc(C)c6C)ccc5c4)ccc3c2)c1C
InChIInChI=1S/C40H34O6/c1-24-8-6-10-37(26(24)3)45-39(41)33-14-12-31-22-35(18-16-29(31)20-33)43-28(5)44-36-19-17-30-21-34(15-13-32(30)23-36)40(42)46-38-11-7-9-25(2)27(38)4/h6-23,28H,1-5H3
InChIKeyLRUCYHKDDXUABS-UHFFFAOYSA-N
XLogP9.47
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.71
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (2,3-dimethylphenyl) 6-[1-[6-(2,3-dimethylphenoxy)carbonylnaphthalen-2-yl]oxyethoxy]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

(2,3-dimethylphenyl) 4-fluorobenzoate
CID 837549
(2,3-dimethylphenyl) 4-(2-methoxyethoxy)benzoate
CID 23012904
(2,3-dimethylphenyl) 4-phenylbenzoate
CID 1228166
(2,3-dimethylphenyl) 4-tert-butylbenzoate
CID 4927352
(2,3-dimethylphenyl) 2-methyl-1,3-dioxoisoindole-5-carboxylate
CID 9324325
(6-methylnaphthalen-1-yl) 6-methylnaphthalene-2-carboxylate
CID 21292340
(2-acetylphenyl) naphthalene-2-carboxylate
CID 67194718
bis(2,3-dimethylphenyl) carbonate
CID 23435013
[3-methoxycarbonyl-4-[6-(1-prop-2-enoyloxyethoxy)naphthalene-2-carbonyl]oxyphenyl] 6-(1-prop-2-enoyloxyethoxy)naphthalene-2-carboxylate
CID 67961749
bis(2,3-dimethylphenyl) bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
CID 142747983
anthracen-1-yl naphthalene-2-carboxylate
CID 151830595
bis(2-methoxycarbonylphenyl) naphthalene-2,6-dicarboxylate
CID 139985709

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl) 6-[1-[6-(2,3-dimethylphenoxy)carbonylnaphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate?
The IUPAC name of (2,3-dimethylphenyl) 6-[1-[6-(2,3-dimethylphenoxy)carbonylnaphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate (CID 141401303) is (2,3-dimethylphenyl) 6-[1-[6-(2,3-dimethylphenoxy)carbonylnaphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate.
What is the SMILES notation for (2,3-dimethylphenyl) 6-[1-[6-(2,3-dimethylphenoxy)carbonylnaphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate?
The canonical SMILES for (2,3-dimethylphenyl) 6-[1-[6-(2,3-dimethylphenoxy)carbonylnaphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate is Cc1cccc(OC(=O)c2ccc3cc(OC(C)Oc4ccc5cc(C(=O)Oc6cccc(C)c6C)ccc5c4)ccc3c2)c1C.
What is the InChIKey of (2,3-dimethylphenyl) 6-[1-[6-(2,3-dimethylphenoxy)carbonylnaphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate?
The InChIKey is LRUCYHKDDXUABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34O6/c1-24-8-6-10-37(26(24)3)45-39(41)33-14-12-31-22-35(18-16-29(31)20-33)43-28(5)44-36-19-17-30-21-34(15-13-32(30)23-36)40(42)46-38-11-7-9-25(2)27(38)4/h6-23,28H,1-5H3.
What are the key properties of (2,3-dimethylphenyl) 6-[1-[6-(2,3-dimethylphenoxy)carbonylnaphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate?
(2,3-dimethylphenyl) 6-[1-[6-(2,3-dimethylphenoxy)carbonylnaphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate has a molecular weight of 610.71 g/mol, XLogP of 9.47, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl) 6-[1-[6-(2,3-dimethylphenoxy)carbonylnaphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate is sourced from PubChem (CID 141401303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).