(4-ethylphenyl)methyl benzoate

C16H16O2 — CID 44587223

IUPAC(4-ethylphenyl)methyl benzoate
SMILESCCc1ccc(COC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H16O2/c1-2-13-8-10-14(11-9-13)12-18-16(17)15-6-4-3-5-7-15/h3-11H,2,12H2,1H3
InChIKeyFUFNEZBKELYSFQ-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.61
Rot. Bonds4

About (4-ethylphenyl)methyl benzoate

(4-ethylphenyl)methyl benzoate (PubChem CID 44587223) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is (4-ethylphenyl)methyl benzoate.

Molecular Properties

Compound Name(4-ethylphenyl)methyl benzoate
PubChem CID44587223
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name(4-ethylphenyl)methyl benzoate
SMILESCCc1ccc(COC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H16O2/c1-2-13-8-10-14(11-9-13)12-18-16(17)15-6-4-3-5-7-15/h3-11H,2,12H2,1H3
InChIKeyFUFNEZBKELYSFQ-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)methyl benzoate?
The IUPAC name of (4-ethylphenyl)methyl benzoate (CID 44587223) is (4-ethylphenyl)methyl benzoate.
What is the SMILES notation for (4-ethylphenyl)methyl benzoate?
The canonical SMILES for (4-ethylphenyl)methyl benzoate is CCc1ccc(COC(=O)c2ccccc2)cc1.
What is the InChIKey of (4-ethylphenyl)methyl benzoate?
The InChIKey is FUFNEZBKELYSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-2-13-8-10-14(11-9-13)12-18-16(17)15-6-4-3-5-7-15/h3-11H,2,12H2,1H3.
What are the key properties of (4-ethylphenyl)methyl benzoate?
(4-ethylphenyl)methyl benzoate has a molecular weight of 240.30 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)methyl benzoate is sourced from PubChem (CID 44587223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).