(2-chlorophenyl) 2-methoxyacetate

C9H9ClO3 — CID 542147

IUPAC(2-chlorophenyl) 2-methoxyacetate
SMILESCOCC(=O)Oc1ccccc1Cl
InChIInChI=1S/C9H9ClO3/c1-12-6-9(11)13-8-5-3-2-4-7(8)10/h2-5H,6H2,1H3
InChIKeyNCQADCTZBYXIEX-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.89
Rot. Bonds3

About (2-chlorophenyl) 2-methoxyacetate

(2-chlorophenyl) 2-methoxyacetate (PubChem CID 542147) has the molecular formula C9H9ClO3 and a molecular weight of 200.62 g/mol. Its IUPAC name is (2-chlorophenyl) 2-methoxyacetate.

Molecular Properties

Compound Name(2-chlorophenyl) 2-methoxyacetate
PubChem CID542147
Molecular FormulaC9H9ClO3
Molecular Weight200.62 g/mol
Exact Mass200.02
IUPAC Name(2-chlorophenyl) 2-methoxyacetate
SMILESCOCC(=O)Oc1ccccc1Cl
InChIInChI=1S/C9H9ClO3/c1-12-6-9(11)13-8-5-3-2-4-7(8)10/h2-5H,6H2,1H3
InChIKeyNCQADCTZBYXIEX-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

(2-methoxyphenyl) 2-methoxyacetate
CID 53423767
(2-chlorophenyl) 2-(4-methoxyphenoxy)acetate
CID 733471
(2-chlorophenyl) 2-(2-propan-2-ylphenoxy)acetate
CID 19179422
naphthalen-1-yl 2-methoxyacetate
CID 19894343
(2-chlorophenyl) 3-aminopropanoate
CID 82112337
(2-chlorophenyl) 2-aminoacetate;hydrochloride
CID 174643390
naphthalen-1-yl 2-methoxyacetate;hydrochloride
CID 19894342
(2-benzoylphenyl) 2-methoxyacetate
CID 150870757
(2-chlorophenyl) 2-(4-chlorophenyl)acetate
CID 3431914
5-(2-chlorophenoxy)-5-oxopentanoic acid
CID 57264991
(2-chlorophenyl) (2R)-2-bromopropanoate
CID 91194587
(2-chlorophenyl) pent-4-enoate
CID 66826844

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) 2-methoxyacetate?
The IUPAC name of (2-chlorophenyl) 2-methoxyacetate (CID 542147) is (2-chlorophenyl) 2-methoxyacetate.
What is the SMILES notation for (2-chlorophenyl) 2-methoxyacetate?
The canonical SMILES for (2-chlorophenyl) 2-methoxyacetate is COCC(=O)Oc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl) 2-methoxyacetate?
The InChIKey is NCQADCTZBYXIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3/c1-12-6-9(11)13-8-5-3-2-4-7(8)10/h2-5H,6H2,1H3.
What are the key properties of (2-chlorophenyl) 2-methoxyacetate?
(2-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 (2-chlorophenyl) 2-methoxyacetate is sourced from PubChem (CID 542147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).