(2-ethoxy-2-oxoethyl) 4-phenylbenzoate

C17H16O4 — CID 78788675

IUPAC(2-ethoxy-2-oxoethyl) 4-phenylbenzoate
SMILESCCOC(=O)COC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H16O4/c1-2-20-16(18)12-21-17(19)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKeyNTHIPKWVSYWTMU-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.07
Rot. Bonds5

About (2-ethoxy-2-oxoethyl) 4-phenylbenzoate

(2-ethoxy-2-oxoethyl) 4-phenylbenzoate (PubChem CID 78788675) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl) 4-phenylbenzoate.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl) 4-phenylbenzoate
PubChem CID78788675
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name(2-ethoxy-2-oxoethyl) 4-phenylbenzoate
SMILESCCOC(=O)COC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H16O4/c1-2-20-16(18)12-21-17(19)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKeyNTHIPKWVSYWTMU-UHFFFAOYSA-N
XLogP3.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 4-azulen-2-ylbenzoate
CID 122206706
ethyl 4-[4-(N-[4-(4-ethoxycarbonylphenyl)phenyl]-4-phenylanilino)phenyl]benzoate
CID 14669998
ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate
CID 59266192
ethyl 4-(N-[4-[4-(N-(4-ethoxycarbonylphenyl)anilino)phenyl]phenyl]anilino)benzoate
CID 69243202
ethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate
CID 108866989
ethyl benzoate;toluene
CID 23150750
ethyl 3-(4-ethoxycarbonylphenyl)benzoate
CID 10859487
ethyl 2-[methyl-(4-phenylbenzoyl)amino]acetate
CID 54785078
(2-ethoxy-2-oxoethyl) 4-butylbenzoate
CID 174942004
ethyl 5-oxo-5-(4-phenylphenyl)pentanoate
CID 15728866
CID 158970570
CID 158970570

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethyl) 4-phenylbenzoate?
The IUPAC name of (2-ethoxy-2-oxoethyl) 4-phenylbenzoate (CID 78788675) is (2-ethoxy-2-oxoethyl) 4-phenylbenzoate.
What is the SMILES notation for (2-ethoxy-2-oxoethyl) 4-phenylbenzoate?
The canonical SMILES for (2-ethoxy-2-oxoethyl) 4-phenylbenzoate is CCOC(=O)COC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2-ethoxy-2-oxoethyl) 4-phenylbenzoate?
The InChIKey is NTHIPKWVSYWTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-2-20-16(18)12-21-17(19)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3.
What are the key properties of (2-ethoxy-2-oxoethyl) 4-phenylbenzoate?
(2-ethoxy-2-oxoethyl) 4-phenylbenzoate has a molecular weight of 284.31 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl) 4-phenylbenzoate is sourced from PubChem (CID 78788675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).