(2-acetylphenyl) 4-(2-phenylethoxy)benzoate

C23H20O4 — CID 23012287

IUPAC(2-acetylphenyl) 4-(2-phenylethoxy)benzoate
SMILESCC(=O)c1ccccc1OC(=O)c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C23H20O4/c1-17(24)21-9-5-6-10-22(21)27-23(25)19-11-13-20(14-12-19)26-16-15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3
InChIKeyZHPHDUXPFMWPSI-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.73
Rot. Bonds7

About (2-acetylphenyl) 4-(2-phenylethoxy)benzoate

(2-acetylphenyl) 4-(2-phenylethoxy)benzoate (PubChem CID 23012287) has the molecular formula C23H20O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is (2-acetylphenyl) 4-(2-phenylethoxy)benzoate.

Molecular Properties

Compound Name(2-acetylphenyl) 4-(2-phenylethoxy)benzoate
PubChem CID23012287
Molecular FormulaC23H20O4
Molecular Weight360.41 g/mol
Exact Mass360.14
IUPAC Name(2-acetylphenyl) 4-(2-phenylethoxy)benzoate
SMILESCC(=O)c1ccccc1OC(=O)c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C23H20O4/c1-17(24)21-9-5-6-10-22(21)27-23(25)19-11-13-20(14-12-19)26-16-15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3
InChIKeyZHPHDUXPFMWPSI-UHFFFAOYSA-N
XLogP4.73
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.73
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

(2-acetylphenyl) 4-(2-methoxyethoxy)benzoate
CID 23012920
2-phenylethyl 2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate
CID 17200308
(2-acetylphenyl) 4-heptylbenzoate
CID 11724708
2-phenoxyethyl 2-[3-(2-phenylethoxy)benzoyl]oxybenzoate
CID 17138631
[2-(2-phenoxyethoxycarbonyl)phenyl] 2-(2-phenylethoxy)benzoate
CID 17138630
methyl 3-bromo-4-[4-(2-phenylethoxy)benzoyl]oxybenzoate
CID 23012301
naphthalen-2-yl 4-(2-phenylethoxy)benzoate
CID 23012279
2-phenoxyethyl 2-benzoyloxybenzoate
CID 17138536
(2-acetyl-5-phenylmethoxyphenyl) benzoate
CID 4189871
ethyl 2-(4-propoxybenzoyl)oxybenzoate
CID 23011682
2-phenoxyethyl 2-(4-chlorobenzoyl)oxybenzoate
CID 17138527
2-phenylethyl 3-[4-(2-phenylethoxy)benzoyl]oxybenzoate
CID 17162299

Frequently Asked Questions

What is the IUPAC name of (2-acetylphenyl) 4-(2-phenylethoxy)benzoate?
The IUPAC name of (2-acetylphenyl) 4-(2-phenylethoxy)benzoate (CID 23012287) is (2-acetylphenyl) 4-(2-phenylethoxy)benzoate.
What is the SMILES notation for (2-acetylphenyl) 4-(2-phenylethoxy)benzoate?
The canonical SMILES for (2-acetylphenyl) 4-(2-phenylethoxy)benzoate is CC(=O)c1ccccc1OC(=O)c1ccc(OCCc2ccccc2)cc1.
What is the InChIKey of (2-acetylphenyl) 4-(2-phenylethoxy)benzoate?
The InChIKey is ZHPHDUXPFMWPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O4/c1-17(24)21-9-5-6-10-22(21)27-23(25)19-11-13-20(14-12-19)26-16-15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3.
What are the key properties of (2-acetylphenyl) 4-(2-phenylethoxy)benzoate?
(2-acetylphenyl) 4-(2-phenylethoxy)benzoate has a molecular weight of 360.41 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetylphenyl) 4-(2-phenylethoxy)benzoate is sourced from PubChem (CID 23012287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).