(4-chlorophenyl) 2-methoxyacetate

C9H9ClO3 — CID 849221

IUPAC(4-chlorophenyl) 2-methoxyacetate
SMILESCOCC(=O)Oc1ccc(Cl)cc1
InChIInChI=1S/C9H9ClO3/c1-12-6-9(11)13-8-4-2-7(10)3-5-8/h2-5H,6H2,1H3
InChIKeyKTBCUWBTDASOFS-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.89
Rot. Bonds3

About (4-chlorophenyl) 2-methoxyacetate

(4-chlorophenyl) 2-methoxyacetate (PubChem CID 849221) has the molecular formula C9H9ClO3 and a molecular weight of 200.62 g/mol. Its IUPAC name is (4-chlorophenyl) 2-methoxyacetate.

Molecular Properties

Compound Name(4-chlorophenyl) 2-methoxyacetate
PubChem CID849221
Molecular FormulaC9H9ClO3
Molecular Weight200.62 g/mol
Exact Mass200.02
IUPAC Name(4-chlorophenyl) 2-methoxyacetate
SMILESCOCC(=O)Oc1ccc(Cl)cc1
InChIInChI=1S/C9H9ClO3/c1-12-6-9(11)13-8-4-2-7(10)3-5-8/h2-5H,6H2,1H3
InChIKeyKTBCUWBTDASOFS-UHFFFAOYSA-N
XLogP1.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.89
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

(4-methylphenyl) 2-methoxyacetate
CID 142940402
(4-chlorophenyl) 2-[4-[2-(4-chlorophenoxy)-2-oxoethoxy]phenoxy]acetate
CID 10503577
[4-(pentafluoro-λ6-sulfanyl)phenyl] 2-methoxyacetate
CID 177288047
(4-prop-2-enoxyphenyl) 2-methoxyacetate
CID 174369154
(4-chlorophenyl) 3,4-dimethylpentanoate
CID 123230696
(4-chlorophenyl) pentanoate
CID 532709
(4-acetamidophenyl) 2-(4-chlorophenoxy)acetate
CID 4938690
potassium;(4-chlorophenyl) 2-aminoacetate;hydride
CID 174962254
(4-cyanophenyl) 2-(4-chlorophenoxy)acetate
CID 4810628
(4-chlorophenyl) acetate
CID 13410
(4-methoxyphenyl) 2-(2,4-dichlorophenoxy)acetate
CID 914130
(4-chlorophenyl) 2-[bis(2,6-dimethylphenyl)methoxy]acetate
CID 22159760

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) 2-methoxyacetate?
The IUPAC name of (4-chlorophenyl) 2-methoxyacetate (CID 849221) is (4-chlorophenyl) 2-methoxyacetate.
What is the SMILES notation for (4-chlorophenyl) 2-methoxyacetate?
The canonical SMILES for (4-chlorophenyl) 2-methoxyacetate is COCC(=O)Oc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl) 2-methoxyacetate?
The InChIKey is KTBCUWBTDASOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3/c1-12-6-9(11)13-8-4-2-7(10)3-5-8/h2-5H,6H2,1H3.
What are the key properties of (4-chlorophenyl) 2-methoxyacetate?
(4-chlorophenyl) 2-methoxyacetate has a molecular weight of 200.62 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) 2-methoxyacetate is sourced from PubChem (CID 849221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).