(2,6-dichloro-3-methoxyphenyl) acetate

C9H8Cl2O3 — CID 57203396

IUPAC(2,6-dichloro-3-methoxyphenyl) acetate
SMILESCOc1ccc(Cl)c(OC(C)=O)c1Cl
InChIInChI=1S/C9H8Cl2O3/c1-5(12)14-9-6(10)3-4-7(13-2)8(9)11/h3-4H,1-2H3
InChIKeyOLZCEBALFSJQOT-UHFFFAOYSA-N
MW235.07 g/mol
LogP2.93
Rot. Bonds2

About (2,6-dichloro-3-methoxyphenyl) acetate

(2,6-dichloro-3-methoxyphenyl) acetate (PubChem CID 57203396) has the molecular formula C9H8Cl2O3 and a molecular weight of 235.07 g/mol. Its IUPAC name is (2,6-dichloro-3-methoxyphenyl) acetate.

Molecular Properties

Compound Name(2,6-dichloro-3-methoxyphenyl) acetate
PubChem CID57203396
Molecular FormulaC9H8Cl2O3
Molecular Weight235.07 g/mol
Exact Mass233.99
IUPAC Name(2,6-dichloro-3-methoxyphenyl) acetate
SMILESCOc1ccc(Cl)c(OC(C)=O)c1Cl
InChIInChI=1S/C9H8Cl2O3/c1-5(12)14-9-6(10)3-4-7(13-2)8(9)11/h3-4H,1-2H3
InChIKeyOLZCEBALFSJQOT-UHFFFAOYSA-N
XLogP2.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-3-formyl-6-methoxyphenyl) acetate
CID 14450993
(2,4-diacetyloxy-3,5-dichlorophenyl) acetate
CID 100914001
(2,3-dichloro-6-methylphenyl) acetate
CID 59058146
N-(3-chloro-2,4-dimethoxyphenyl)acetamide
CID 91691937
(2-acetyloxy-3-iodo-4-methoxyphenyl) acetate
CID 66651996
methyl 2,6-dichloro-3-methoxybenzoate
CID 72942143
(4-chloro-2-methoxyphenyl) acetate
CID 45073631
(2,4-dimethoxy-3-methylphenyl) acetate
CID 10899866
(2-acetyloxy-3-methoxyphenyl) acetate
CID 11564821
(3-bromo-2,6-dimethoxyphenyl) acetate
CID 91102883
(2-acetyloxy-3,4,5,6-tetrachlorophenyl) acetate
CID 619084
(3-acetyloxy-2-chloro-4-phenylphenyl) acetate
CID 139930381

Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-3-methoxyphenyl) acetate?
The IUPAC name of (2,6-dichloro-3-methoxyphenyl) acetate (CID 57203396) is (2,6-dichloro-3-methoxyphenyl) acetate.
What is the SMILES notation for (2,6-dichloro-3-methoxyphenyl) acetate?
The canonical SMILES for (2,6-dichloro-3-methoxyphenyl) acetate is COc1ccc(Cl)c(OC(C)=O)c1Cl.
What is the InChIKey of (2,6-dichloro-3-methoxyphenyl) acetate?
The InChIKey is OLZCEBALFSJQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O3/c1-5(12)14-9-6(10)3-4-7(13-2)8(9)11/h3-4H,1-2H3.
What are the key properties of (2,6-dichloro-3-methoxyphenyl) acetate?
(2,6-dichloro-3-methoxyphenyl) acetate has a molecular weight of 235.07 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-3-methoxyphenyl) acetate is sourced from PubChem (CID 57203396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).