(5-acetyl-2-methoxyphenyl)methyl 2-(4-chloro-2-methylphenoxy)acetate

C19H19ClO5 — CID 7779381

IUPAC(5-acetyl-2-methoxyphenyl)methyl 2-(4-chloro-2-methylphenoxy)acetate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C19H19ClO5/c1-12-8-16(20)5-7-17(12)24-11-19(22)25-10-15-9-14(13(2)21)4-6-18(15)23-3/h4-9H,10-11H2,1-3H3
InChIKeyHNIXSIAQLNRJID-UHFFFAOYSA-N
MW362.81 g/mol
LogP3.98
Rot. Bonds7

About (5-acetyl-2-methoxyphenyl)methyl 2-(4-chloro-2-methylphenoxy)acetate

(5-acetyl-2-methoxyphenyl)methyl 2-(4-chloro-2-methylphenoxy)acetate (PubChem CID 7779381) has the molecular formula C19H19ClO5 and a molecular weight of 362.81 g/mol. Its IUPAC name is (5-acetyl-2-methoxyphenyl)methyl 2-(4-chloro-2-methylphenoxy)acetate.

Molecular Properties

Compound Name(5-acetyl-2-methoxyphenyl)methyl 2-(4-chloro-2-methylphenoxy)acetate
PubChem CID7779381
Molecular FormulaC19H19ClO5
Molecular Weight362.81 g/mol
Exact Mass362.09
IUPAC Name(5-acetyl-2-methoxyphenyl)methyl 2-(4-chloro-2-methylphenoxy)acetate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C19H19ClO5/c1-12-8-16(20)5-7-17(12)24-11-19(22)25-10-15-9-14(13(2)21)4-6-18(15)23-3/h4-9H,10-11H2,1-3H3
InChIKeyHNIXSIAQLNRJID-UHFFFAOYSA-N
XLogP3.98
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8534424
(5-acetyl-2-methoxyphenyl)methyl 5-chloro-2-hydroxybenzoate
CID 2602816
(5-acetyl-2-methoxyphenyl)methyl (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862373
acetyl 2-(4-chloro-2-methylphenoxy)acetate
CID 175377307
[2-(3-acetylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7779556
[amino-(4-methoxyphenyl)methylidene]-[2-(4-chloro-2-methylphenoxy)acetyl]oxyazanium
CID 3446606
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7628185
(6,7-dimethyl-2-oxochromen-4-yl)methyl 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 7902820
tridecyl 2-(4-chloro-2-methylphenoxy)acetate
CID 91744367
(5-acetyl-2-methoxyphenyl)methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235428
1-[3-[(2-chloro-5-methylphenoxy)methyl]-4-methoxyphenyl]ethanone
CID 60627244

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 2-(4-chloro-2-methylphenoxy)acetate?
The IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 2-(4-chloro-2-methylphenoxy)acetate (CID 7779381) is (5-acetyl-2-methoxyphenyl)methyl 2-(4-chloro-2-methylphenoxy)acetate.
What is the SMILES notation for (5-acetyl-2-methoxyphenyl)methyl 2-(4-chloro-2-methylphenoxy)acetate?
The canonical SMILES for (5-acetyl-2-methoxyphenyl)methyl 2-(4-chloro-2-methylphenoxy)acetate is COc1ccc(C(C)=O)cc1COC(=O)COc1ccc(Cl)cc1C.
What is the InChIKey of (5-acetyl-2-methoxyphenyl)methyl 2-(4-chloro-2-methylphenoxy)acetate?
The InChIKey is HNIXSIAQLNRJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClO5/c1-12-8-16(20)5-7-17(12)24-11-19(22)25-10-15-9-14(13(2)21)4-6-18(15)23-3/h4-9H,10-11H2,1-3H3.
What are the key properties of (5-acetyl-2-methoxyphenyl)methyl 2-(4-chloro-2-methylphenoxy)acetate?
(5-acetyl-2-methoxyphenyl)methyl 2-(4-chloro-2-methylphenoxy)acetate has a molecular weight of 362.81 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-methoxyphenyl)methyl 2-(4-chloro-2-methylphenoxy)acetate is sourced from PubChem (CID 7779381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).