[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-benzoylbenzoate

C24H20O5 — CID 7815167

IUPAC[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-benzoylbenzoate
SMILESCOc1ccc(C(=O)[C@@H](C)OC(=O)c2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H20O5/c1-16(22(25)18-12-14-19(28-2)15-13-18)29-24(27)21-11-7-6-10-20(21)23(26)17-8-4-3-5-9-17/h3-16H,1-2H3/t16-/m1/s1
InChIKeyIGDIDTMKMWDQQY-MRXNPFEDSA-N
MW388.42 g/mol
LogP4.35
Rot. Bonds7

About [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-benzoylbenzoate

[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-benzoylbenzoate (PubChem CID 7815167) has the molecular formula C24H20O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-benzoylbenzoate.

Molecular Properties

Compound Name[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-benzoylbenzoate
PubChem CID7815167
Molecular FormulaC24H20O5
Molecular Weight388.42 g/mol
Exact Mass388.13
IUPAC Name[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-benzoylbenzoate
SMILESCOc1ccc(C(=O)[C@@H](C)OC(=O)c2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H20O5/c1-16(22(25)18-12-14-19(28-2)15-13-18)29-24(27)21-11-7-6-10-20(21)23(26)17-8-4-3-5-9-17/h3-16H,1-2H3/t16-/m1/s1
InChIKeyIGDIDTMKMWDQQY-MRXNPFEDSA-N
XLogP4.35
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-methoxyphenyl)-1-oxopropan-2-yl] benzoate
CID 13123780
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 7484933
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate
CID 7468209
(1-oxo-1-phenylpropan-2-yl) 7-methoxy-2-methylquinoline-3-carboxylate
CID 42894703
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2,3,4-trimethoxybenzoate
CID 7758501
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 4-benzoylbenzoate
CID 2606590
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 7777198
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2,4-dimethylquinoline-3-carboxylate
CID 8825277
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 5-methyl-1-phenylpyrazole-4-carboxylate
CID 42925864
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)benzoate
CID 7399486
(4-methoxyphenyl)-(2-propan-2-ylphenyl)methanone
CID 23404431
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-iodobenzoate
CID 8011111

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-benzoylbenzoate?
The IUPAC name of [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-benzoylbenzoate (CID 7815167) is [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-benzoylbenzoate.
What is the SMILES notation for [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-benzoylbenzoate?
The canonical SMILES for [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-benzoylbenzoate is COc1ccc(C(=O)[C@@H](C)OC(=O)c2ccccc2C(=O)c2ccccc2)cc1.
What is the InChIKey of [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-benzoylbenzoate?
The InChIKey is IGDIDTMKMWDQQY-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H20O5/c1-16(22(25)18-12-14-19(28-2)15-13-18)29-24(27)21-11-7-6-10-20(21)23(26)17-8-4-3-5-9-17/h3-16H,1-2H3/t16-/m1/s1.
What are the key properties of [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-benzoylbenzoate?
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-benzoylbenzoate has a molecular weight of 388.42 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-benzoylbenzoate is sourced from PubChem (CID 7815167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).