(4-benzoylphenyl) 2-ethoxybenzoate

C22H18O4 — CID 1234623

IUPAC(4-benzoylphenyl) 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H18O4/c1-2-25-20-11-7-6-10-19(20)22(24)26-18-14-12-17(13-15-18)21(23)16-8-4-3-5-9-16/h3-15H,2H2,1H3
InChIKeyXDDGDDVHPHHLLK-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.54
Rot. Bonds6

About (4-benzoylphenyl) 2-ethoxybenzoate

(4-benzoylphenyl) 2-ethoxybenzoate (PubChem CID 1234623) has the molecular formula C22H18O4 and a molecular weight of 346.38 g/mol. Its IUPAC name is (4-benzoylphenyl) 2-ethoxybenzoate.

Molecular Properties

Compound Name(4-benzoylphenyl) 2-ethoxybenzoate
PubChem CID1234623
Molecular FormulaC22H18O4
Molecular Weight346.38 g/mol
Exact Mass346.12
IUPAC Name(4-benzoylphenyl) 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H18O4/c1-2-25-20-11-7-6-10-19(20)22(24)26-18-14-12-17(13-15-18)21(23)16-8-4-3-5-9-16/h3-15H,2H2,1H3
InChIKeyXDDGDDVHPHHLLK-UHFFFAOYSA-N
XLogP4.54
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-benzoylphenyl) 2-methoxybenzoate
CID 1234638
(4-acetylphenyl) 2-propoxybenzoate
CID 23011739
2-ethoxybenzenecarboperoxoic acid
CID 22314606
(2-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 43161508
(2-ethoxyphenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005373
(3,5-dichloro-4-methylphenyl) 2-ethoxybenzoate
CID 23011363
(4-benzoylphenyl) 2,3,4-trimethoxybenzoate
CID 9095487
[3-(2-phenylethoxycarbonyl)phenyl] 2-ethoxybenzoate
CID 17162277
(4-ethoxyphenyl)-(2-propoxyphenyl)methanone
CID 115800643
[2-(2-ethoxybenzoyl)phenyl] hydrogen carbonate
CID 174463979
2,3-dihydro-1,4-benzodioxin-6-yl 2-ethoxybenzoate
CID 86912466
(4-ethoxy-2,5-dimethylphenyl)-phenylmethanone
CID 82628812

Frequently Asked Questions

What is the IUPAC name of (4-benzoylphenyl) 2-ethoxybenzoate?
The IUPAC name of (4-benzoylphenyl) 2-ethoxybenzoate (CID 1234623) is (4-benzoylphenyl) 2-ethoxybenzoate.
What is the SMILES notation for (4-benzoylphenyl) 2-ethoxybenzoate?
The canonical SMILES for (4-benzoylphenyl) 2-ethoxybenzoate is CCOc1ccccc1C(=O)Oc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of (4-benzoylphenyl) 2-ethoxybenzoate?
The InChIKey is XDDGDDVHPHHLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O4/c1-2-25-20-11-7-6-10-19(20)22(24)26-18-14-12-17(13-15-18)21(23)16-8-4-3-5-9-16/h3-15H,2H2,1H3.
What are the key properties of (4-benzoylphenyl) 2-ethoxybenzoate?
(4-benzoylphenyl) 2-ethoxybenzoate has a molecular weight of 346.38 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoylphenyl) 2-ethoxybenzoate is sourced from PubChem (CID 1234623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).