ethyl 2-(4-naphthalen-1-ylphenoxy)carbonyloxybenzoate

C26H20O5 — CID 21467830

IUPACethyl 2-(4-naphthalen-1-ylphenoxy)carbonyloxybenzoate
SMILESCCOC(=O)c1ccccc1OC(=O)Oc1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C26H20O5/c1-2-29-25(27)23-11-5-6-13-24(23)31-26(28)30-20-16-14-19(15-17-20)22-12-7-9-18-8-3-4-10-21(18)22/h3-17H,2H2,1H3
InChIKeyCBMJSRHXHQWFKI-UHFFFAOYSA-N
MW412.44 g/mol
LogP6.26
Rot. Bonds5

About ethyl 2-(4-naphthalen-1-ylphenoxy)carbonyloxybenzoate

ethyl 2-(4-naphthalen-1-ylphenoxy)carbonyloxybenzoate (PubChem CID 21467830) has the molecular formula C26H20O5 and a molecular weight of 412.44 g/mol. Its IUPAC name is ethyl 2-(4-naphthalen-1-ylphenoxy)carbonyloxybenzoate.

Molecular Properties

Compound Nameethyl 2-(4-naphthalen-1-ylphenoxy)carbonyloxybenzoate
PubChem CID21467830
Molecular FormulaC26H20O5
Molecular Weight412.44 g/mol
Exact Mass412.13
IUPAC Nameethyl 2-(4-naphthalen-1-ylphenoxy)carbonyloxybenzoate
SMILESCCOC(=O)c1ccccc1OC(=O)Oc1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C26H20O5/c1-2-29-25(27)23-11-5-6-13-24(23)31-26(28)30-20-16-14-19(15-17-20)22-12-7-9-18-8-3-4-10-21(18)22/h3-17H,2H2,1H3
InChIKeyCBMJSRHXHQWFKI-UHFFFAOYSA-N
XLogP6.26
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.44
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

chrysen-1-yl (4-methylphenyl) carbonate
CID 175198162
ethyl 2-(4-methylphenyl)benzoate
CID 10922668
ethyl 2-(4-fluorophenyl)benzoate
CID 43840259
ethyl 2-acetyloxybenzoate;hydrochloride
CID 168984732
(2-ethoxycarbonylphenoxy)carbonyloxy-hydroxy-oxophosphanium
CID 67639129
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
ethyl chrysene-1-carboxylate
CID 86251232
ethyl 2-(4-hydroxyphenyl)benzoate
CID 67639185
ethyl 2-(4-bromophenoxy)benzoate
CID 23464800
diethyl 2-naphthalen-1-ylazulene-1,3-dicarboxylate
CID 10834680
ethyl 2-(2,2-dimethylpropanoyloxy)benzoate
CID 71314327
ethyl 5-methyl-4-naphthalen-1-yl-1H-pyrrole-3-carboxylate
CID 18670784

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-naphthalen-1-ylphenoxy)carbonyloxybenzoate?
The IUPAC name of ethyl 2-(4-naphthalen-1-ylphenoxy)carbonyloxybenzoate (CID 21467830) is ethyl 2-(4-naphthalen-1-ylphenoxy)carbonyloxybenzoate.
What is the SMILES notation for ethyl 2-(4-naphthalen-1-ylphenoxy)carbonyloxybenzoate?
The canonical SMILES for ethyl 2-(4-naphthalen-1-ylphenoxy)carbonyloxybenzoate is CCOC(=O)c1ccccc1OC(=O)Oc1ccc(-c2cccc3ccccc23)cc1.
What is the InChIKey of ethyl 2-(4-naphthalen-1-ylphenoxy)carbonyloxybenzoate?
The InChIKey is CBMJSRHXHQWFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O5/c1-2-29-25(27)23-11-5-6-13-24(23)31-26(28)30-20-16-14-19(15-17-20)22-12-7-9-18-8-3-4-10-21(18)22/h3-17H,2H2,1H3.
What are the key properties of ethyl 2-(4-naphthalen-1-ylphenoxy)carbonyloxybenzoate?
ethyl 2-(4-naphthalen-1-ylphenoxy)carbonyloxybenzoate has a molecular weight of 412.44 g/mol, XLogP of 6.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-naphthalen-1-ylphenoxy)carbonyloxybenzoate is sourced from PubChem (CID 21467830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).