methyl 2-(2,4-dichlorophenyl)acetate

C9H8Cl2O2 — CID 2734106

IUPACmethyl 2-(2,4-dichlorophenyl)acetate
SMILESCOC(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl2O2/c1-13-9(12)4-6-2-3-7(10)5-8(6)11/h2-3,5H,4H2,1H3
InChIKeySRCVNBFTEARRJY-UHFFFAOYSA-N
MW219.07 g/mol
LogP2.71
Rot. Bonds2

About methyl 2-(2,4-dichlorophenyl)acetate

methyl 2-(2,4-dichlorophenyl)acetate (PubChem CID 2734106) has the molecular formula C9H8Cl2O2 and a molecular weight of 219.07 g/mol. Its IUPAC name is methyl 2-(2,4-dichlorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2,4-dichlorophenyl)acetate
PubChem CID2734106
Molecular FormulaC9H8Cl2O2
Molecular Weight219.07 g/mol
Exact Mass217.99
IUPAC Namemethyl 2-(2,4-dichlorophenyl)acetate
SMILESCOC(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl2O2/c1-13-9(12)4-6-2-3-7(10)5-8(6)11/h2-3,5H,4H2,1H3
InChIKeySRCVNBFTEARRJY-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Chlorophenyl)acetic acid
CID 15880
Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-
CID 16197
2,6-Dichlorophenylacetic acid
CID 81058
o-Chlorophenylacetic acid
CID 17124
beta-(p-Chlorophenyl)propionic acid
CID 123137
Chlorfenprop-methyl
CID 26693
2,4-Dichlorophenylacetic acid
CID 88209
Benzoic acid, 2,4-dichloro-, ethyl ester
CID 42026
2-(3,5-Dichlorophenyl)acetic acid
CID 6452487
Ethyl (4-chlorophenyl)acetate
CID 84177
3-(2-Chlorophenyl)propanoic acid
CID 95676
3-(2,4-Dichlorophenyl)propanoic acid
CID 2740915

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-dichlorophenyl)acetate?
The IUPAC name of methyl 2-(2,4-dichlorophenyl)acetate (CID 2734106) is methyl 2-(2,4-dichlorophenyl)acetate.
What is the SMILES notation for methyl 2-(2,4-dichlorophenyl)acetate?
The canonical SMILES for methyl 2-(2,4-dichlorophenyl)acetate is COC(=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of methyl 2-(2,4-dichlorophenyl)acetate?
The InChIKey is SRCVNBFTEARRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O2/c1-13-9(12)4-6-2-3-7(10)5-8(6)11/h2-3,5H,4H2,1H3.
What are the key properties of methyl 2-(2,4-dichlorophenyl)acetate?
methyl 2-(2,4-dichlorophenyl)acetate has a molecular weight of 219.07 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-dichlorophenyl)acetate is sourced from PubChem (CID 2734106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).