carboxyoxycarbonyl 2-naphthalen-1-ylbenzoate

C19H12O6 — CID 174515658

IUPACcarboxyoxycarbonyl 2-naphthalen-1-ylbenzoate
SMILESO=C(O)OC(=O)OC(=O)c1ccccc1-c1cccc2ccccc12
InChIInChI=1S/C19H12O6/c20-17(24-19(23)25-18(21)22)16-10-4-3-9-15(16)14-11-5-7-12-6-1-2-8-13(12)14/h1-11H,(H,21,22)
InChIKeyRRDRULPDZBNSGG-UHFFFAOYSA-N
MW336.30 g/mol
LogP4.48
Rot. Bonds2

About carboxyoxycarbonyl 2-naphthalen-1-ylbenzoate

carboxyoxycarbonyl 2-naphthalen-1-ylbenzoate (PubChem CID 174515658) has the molecular formula C19H12O6 and a molecular weight of 336.30 g/mol. Its IUPAC name is carboxyoxycarbonyl 2-naphthalen-1-ylbenzoate.

Molecular Properties

Compound Namecarboxyoxycarbonyl 2-naphthalen-1-ylbenzoate
PubChem CID174515658
Molecular FormulaC19H12O6
Molecular Weight336.30 g/mol
Exact Mass336.06
IUPAC Namecarboxyoxycarbonyl 2-naphthalen-1-ylbenzoate
SMILESO=C(O)OC(=O)OC(=O)c1ccccc1-c1cccc2ccccc12
InChIInChI=1S/C19H12O6/c20-17(24-19(23)25-18(21)22)16-10-4-3-9-15(16)14-11-5-7-12-6-1-2-8-13(12)14/h1-11H,(H,21,22)
InChIKeyRRDRULPDZBNSGG-UHFFFAOYSA-N
XLogP4.48
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carboxyoxycarbonyl 2-naphthalen-1-ylbenzoate?
The IUPAC name of carboxyoxycarbonyl 2-naphthalen-1-ylbenzoate (CID 174515658) is carboxyoxycarbonyl 2-naphthalen-1-ylbenzoate.
What is the SMILES notation for carboxyoxycarbonyl 2-naphthalen-1-ylbenzoate?
The canonical SMILES for carboxyoxycarbonyl 2-naphthalen-1-ylbenzoate is O=C(O)OC(=O)OC(=O)c1ccccc1-c1cccc2ccccc12.
What is the InChIKey of carboxyoxycarbonyl 2-naphthalen-1-ylbenzoate?
The InChIKey is RRDRULPDZBNSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O6/c20-17(24-19(23)25-18(21)22)16-10-4-3-9-15(16)14-11-5-7-12-6-1-2-8-13(12)14/h1-11H,(H,21,22).
What are the key properties of carboxyoxycarbonyl 2-naphthalen-1-ylbenzoate?
carboxyoxycarbonyl 2-naphthalen-1-ylbenzoate has a molecular weight of 336.30 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carboxyoxycarbonyl 2-naphthalen-1-ylbenzoate is sourced from PubChem (CID 174515658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).