[2-(3-methoxyphenyl)-2-oxoethyl] 2-(4-chlorophenyl)acetate

C17H15ClO4 — CID 4087893

IUPAC[2-(3-methoxyphenyl)-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESCOc1cccc(C(=O)COC(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H15ClO4/c1-21-15-4-2-3-13(10-15)16(19)11-22-17(20)9-12-5-7-14(18)8-6-12/h2-8,10H,9,11H2,1H3
InChIKeySYMJHJUZDDQMBT-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.32
Rot. Bonds6

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

[2-(3-methoxyphenyl)-2-oxoethyl] 2-(4-chlorophenyl)acetate (PubChem CID 4087893) has the molecular formula C17H15ClO4 and a molecular weight of 318.76 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)-2-oxoethyl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)-2-oxoethyl] 2-(4-chlorophenyl)acetate
PubChem CID4087893
Molecular FormulaC17H15ClO4
Molecular Weight318.76 g/mol
Exact Mass318.07
IUPAC Name[2-(3-methoxyphenyl)-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESCOc1cccc(C(=O)COC(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H15ClO4/c1-21-15-4-2-3-13(10-15)16(19)11-22-17(20)9-12-5-7-14(18)8-6-12/h2-8,10H,9,11H2,1H3
InChIKeySYMJHJUZDDQMBT-UHFFFAOYSA-N
XLogP3.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[[1-amino-2-(4-chlorophenyl)ethylidene]amino] 3-methoxybenzoate
CID 4210314
[2-(3-methoxyphenyl)-2-oxoethyl] 4-oxo-4-phenylbutanoate
CID 4271424
[2-(3-methoxyphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]benzoate
CID 1217731
1-(4-chlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412672
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7627706
[[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(3-methoxyphenoxy)acetate
CID 4994307
2-[2-(aminomethyl)phenyl]-1-(3-methoxyphenyl)ethanone
CID 116595979
1-(3-methoxyphenyl)-2-pyridin-4-ylethanone
CID 11276228
2-(4-chlorophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 63411353
phenacyl 2-[(3-methoxybenzoyl)amino]acetate
CID 2165686
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7834140

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The IUPAC name of [2-(3-methoxyphenyl)-2-oxoethyl] 2-(4-chlorophenyl)acetate (CID 4087893) is [2-(3-methoxyphenyl)-2-oxoethyl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [2-(3-methoxyphenyl)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [2-(3-methoxyphenyl)-2-oxoethyl] 2-(4-chlorophenyl)acetate is COc1cccc(C(=O)COC(=O)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of [2-(3-methoxyphenyl)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The InChIKey is SYMJHJUZDDQMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO4/c1-21-15-4-2-3-13(10-15)16(19)11-22-17(20)9-12-5-7-14(18)8-6-12/h2-8,10H,9,11H2,1H3.
What are the key properties of [2-(3-methoxyphenyl)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
[2-(3-methoxyphenyl)-2-oxoethyl] 2-(4-chlorophenyl)acetate has a molecular weight of 318.76 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)-2-oxoethyl] 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 4087893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).