ethyl 4-azulen-2-ylbenzoate

C19H16O2 — CID 122206706

IUPACethyl 4-azulen-2-ylbenzoate
SMILESCCOC(=O)c1ccc(-c2cc3cccccc-3c2)cc1
InChIInChI=1S/C19H16O2/c1-2-21-19(20)15-10-8-14(9-11-15)18-12-16-6-4-3-5-7-17(16)13-18/h3-13H,2H2,1H3
InChIKeyUTEQJPILUTUPNV-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.64
Rot. Bonds3

About ethyl 4-azulen-2-ylbenzoate

ethyl 4-azulen-2-ylbenzoate (PubChem CID 122206706) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl 4-azulen-2-ylbenzoate.

Molecular Properties

Compound Nameethyl 4-azulen-2-ylbenzoate
PubChem CID122206706
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Nameethyl 4-azulen-2-ylbenzoate
SMILESCCOC(=O)c1ccc(-c2cc3cccccc-3c2)cc1
InChIInChI=1S/C19H16O2/c1-2-21-19(20)15-10-8-14(9-11-15)18-12-16-6-4-3-5-7-17(16)13-18/h3-13H,2H2,1H3
InChIKeyUTEQJPILUTUPNV-UHFFFAOYSA-N
XLogP4.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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ethyl 3-(4-ethoxycarbonylphenyl)benzoate
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6-ethoxycarbonylazulene-2-carboxylic acid
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(2-ethoxy-2-oxoethyl) 4-phenylbenzoate
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ethyl benzoate;toluene
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CID 158970570
CID 158970570

Frequently Asked Questions

What is the IUPAC name of ethyl 4-azulen-2-ylbenzoate?
The IUPAC name of ethyl 4-azulen-2-ylbenzoate (CID 122206706) is ethyl 4-azulen-2-ylbenzoate.
What is the SMILES notation for ethyl 4-azulen-2-ylbenzoate?
The canonical SMILES for ethyl 4-azulen-2-ylbenzoate is CCOC(=O)c1ccc(-c2cc3cccccc-3c2)cc1.
What is the InChIKey of ethyl 4-azulen-2-ylbenzoate?
The InChIKey is UTEQJPILUTUPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c1-2-21-19(20)15-10-8-14(9-11-15)18-12-16-6-4-3-5-7-17(16)13-18/h3-13H,2H2,1H3.
What are the key properties of ethyl 4-azulen-2-ylbenzoate?
ethyl 4-azulen-2-ylbenzoate has a molecular weight of 276.34 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-azulen-2-ylbenzoate is sourced from PubChem (CID 122206706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).