[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-phenylphenyl)acetate

C23H19ClO4 — CID 7627706

IUPAC[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-phenylphenyl)acetate
SMILESCOc1ccc(C(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)cc1Cl
InChIInChI=1S/C23H19ClO4/c1-27-22-12-11-19(14-20(22)24)21(25)15-28-23(26)13-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-12,14H,13,15H2,1H3
InChIKeyDAVCQBQUULVSBF-UHFFFAOYSA-N
MW394.85 g/mol
LogP4.98
Rot. Bonds7

About [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-phenylphenyl)acetate

[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-phenylphenyl)acetate (PubChem CID 7627706) has the molecular formula C23H19ClO4 and a molecular weight of 394.85 g/mol. Its IUPAC name is [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-phenylphenyl)acetate.

Molecular Properties

Compound Name[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-phenylphenyl)acetate
PubChem CID7627706
Molecular FormulaC23H19ClO4
Molecular Weight394.85 g/mol
Exact Mass394.10
IUPAC Name[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-phenylphenyl)acetate
SMILESCOc1ccc(C(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)cc1Cl
InChIInChI=1S/C23H19ClO4/c1-27-22-12-11-19(14-20(22)24)21(25)15-28-23(26)13-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-12,14H,13,15H2,1H3
InChIKeyDAVCQBQUULVSBF-UHFFFAOYSA-N
XLogP4.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.85
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8671559
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-phenylphenyl)acetate
CID 7704319
1-(3-chloro-4-methoxyphenyl)-2-phenylethanone
CID 18756159
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate
CID 8506376
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(3,4-dimethylphenyl)acetate
CID 7904837
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate
CID 8732609
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 7626940
phenacyl 2-(3-bromo-4-methoxyphenyl)acetate
CID 19132535
[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7703831
4-O-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7488857
2-(4-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 43161702
2-amino-1-(3-chloro-4-methoxyphenyl)ethanone
CID 79002249

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-phenylphenyl)acetate?
The IUPAC name of [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-phenylphenyl)acetate (CID 7627706) is [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-phenylphenyl)acetate.
What is the SMILES notation for [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-phenylphenyl)acetate?
The canonical SMILES for [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-phenylphenyl)acetate is COc1ccc(C(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)cc1Cl.
What is the InChIKey of [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-phenylphenyl)acetate?
The InChIKey is DAVCQBQUULVSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClO4/c1-27-22-12-11-19(14-20(22)24)21(25)15-28-23(26)13-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-12,14H,13,15H2,1H3.
What are the key properties of [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-phenylphenyl)acetate?
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-phenylphenyl)acetate has a molecular weight of 394.85 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-phenylphenyl)acetate is sourced from PubChem (CID 7627706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).