[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-phenoxybenzoate

C24H22O4 — CID 7760769

IUPAC[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-phenoxybenzoate
SMILESCCc1ccc(C(=O)[C@H](C)OC(=O)c2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C24H22O4/c1-3-18-13-15-19(16-14-18)23(25)17(2)27-24(26)21-11-7-8-12-22(21)28-20-9-5-4-6-10-20/h4-17H,3H2,1-2H3/t17-/m0/s1
InChIKeyTZMTZYGLHIXHOB-KRWDZBQOSA-N
MW374.44 g/mol
LogP5.47
Rot. Bonds7

About [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-phenoxybenzoate

[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-phenoxybenzoate (PubChem CID 7760769) has the molecular formula C24H22O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-phenoxybenzoate.

Molecular Properties

Compound Name[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-phenoxybenzoate
PubChem CID7760769
Molecular FormulaC24H22O4
Molecular Weight374.44 g/mol
Exact Mass374.15
IUPAC Name[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-phenoxybenzoate
SMILESCCc1ccc(C(=O)[C@H](C)OC(=O)c2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C24H22O4/c1-3-18-13-15-19(16-14-18)23(25)17(2)27-24(26)21-11-7-8-12-22(21)28-20-9-5-4-6-10-20/h4-17H,3H2,1-2H3/t17-/m0/s1
InChIKeyTZMTZYGLHIXHOB-KRWDZBQOSA-N
XLogP5.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-phenoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-amino-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 2498474
[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 7698131
[(2S)-1-anilino-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 2498436
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2,4,5-trimethoxybenzoate
CID 7810802
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate
CID 9066775
4-O-[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239598
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 7760772
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-phenoxybenzoate
CID 7950325
(1-oxo-1-phenylpropan-2-yl) 2-(4-ethylphenoxy)acetate
CID 55316789
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-methoxy-4-methylsulfanylbenzoate
CID 7767644
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] anthracene-9-carboxylate
CID 7786565
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 4791857

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-phenoxybenzoate?
The IUPAC name of [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-phenoxybenzoate (CID 7760769) is [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-phenoxybenzoate.
What is the SMILES notation for [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-phenoxybenzoate?
The canonical SMILES for [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-phenoxybenzoate is CCc1ccc(C(=O)[C@H](C)OC(=O)c2ccccc2Oc2ccccc2)cc1.
What is the InChIKey of [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-phenoxybenzoate?
The InChIKey is TZMTZYGLHIXHOB-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H22O4/c1-3-18-13-15-19(16-14-18)23(25)17(2)27-24(26)21-11-7-8-12-22(21)28-20-9-5-4-6-10-20/h4-17H,3H2,1-2H3/t17-/m0/s1.
What are the key properties of [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-phenoxybenzoate?
[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-phenoxybenzoate has a molecular weight of 374.44 g/mol, XLogP of 5.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-phenoxybenzoate is sourced from PubChem (CID 7760769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).