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

C19H19ClO6 — CID 8732609

IUPAC[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)c2ccc(OC)c(Cl)c2)c(OC)c1
InChIInChI=1S/C19H19ClO6/c1-23-14-6-4-13(18(10-14)25-3)9-19(22)26-11-16(21)12-5-7-17(24-2)15(20)8-12/h4-8,10H,9,11H2,1-3H3
InChIKeyMIRIWKKSKYDPGD-UHFFFAOYSA-N
MW378.81 g/mol
LogP3.33
Rot. Bonds8

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

[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate (PubChem CID 8732609) has the molecular formula C19H19ClO6 and a molecular weight of 378.81 g/mol. Its IUPAC name is [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate
PubChem CID8732609
Molecular FormulaC19H19ClO6
Molecular Weight378.81 g/mol
Exact Mass378.09
IUPAC Name[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)c2ccc(OC)c(Cl)c2)c(OC)c1
InChIInChI=1S/C19H19ClO6/c1-23-14-6-4-13(18(10-14)25-3)9-19(22)26-11-16(21)12-5-7-17(24-2)15(20)8-12/h4-8,10H,9,11H2,1-3H3
InChIKeyMIRIWKKSKYDPGD-UHFFFAOYSA-N
XLogP3.33
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7627706
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8671559
[2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate
CID 9381311
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate
CID 8506376
4-O-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7488857
[2-(3,4-dichlorophenyl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 42983061
2-amino-1-(3-chloro-4-methoxyphenyl)ethanone
CID 79002249
2-(4-bromophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 60659477
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 8665483
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 7750520
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 7626940
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] pyridine-4-carboxylate
CID 7626583

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate?
The IUPAC name of [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate (CID 8732609) is [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate.
What is the SMILES notation for [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate?
The canonical SMILES for [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate is COc1ccc(CC(=O)OCC(=O)c2ccc(OC)c(Cl)c2)c(OC)c1.
What is the InChIKey of [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate?
The InChIKey is MIRIWKKSKYDPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClO6/c1-23-14-6-4-13(18(10-14)25-3)9-19(22)26-11-16(21)12-5-7-17(24-2)15(20)8-12/h4-8,10H,9,11H2,1-3H3.
What are the key properties of [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate?
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate has a molecular weight of 378.81 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate is sourced from PubChem (CID 8732609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).