(3-chlorophenyl)methyl 2-methoxyacetate

C10H11ClO3 — CID 142607419

IUPAC(3-chlorophenyl)methyl 2-methoxyacetate
SMILESCOCC(=O)OCc1cccc(Cl)c1
InChIInChI=1S/C10H11ClO3/c1-13-7-10(12)14-6-8-3-2-4-9(11)5-8/h2-5H,6-7H2,1H3
InChIKeyIXVAGEPCLHPSMI-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.03
Rot. Bonds4

About (3-chlorophenyl)methyl 2-methoxyacetate

(3-chlorophenyl)methyl 2-methoxyacetate (PubChem CID 142607419) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is (3-chlorophenyl)methyl 2-methoxyacetate.

Molecular Properties

Compound Name(3-chlorophenyl)methyl 2-methoxyacetate
PubChem CID142607419
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name(3-chlorophenyl)methyl 2-methoxyacetate
SMILESCOCC(=O)OCc1cccc(Cl)c1
InChIInChI=1S/C10H11ClO3/c1-13-7-10(12)14-6-8-3-2-4-9(11)5-8/h2-5H,6-7H2,1H3
InChIKeyIXVAGEPCLHPSMI-UHFFFAOYSA-N
XLogP2.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis[(3-chlorophenyl)methyl] carbonate
CID 44719399
(2-oxo-2-phenylmethoxyethyl) 2-methoxyacetate
CID 20645227
(3-chlorophenyl)methyl 2-amino-4-methoxybutanoate
CID 65126822
(3-chlorophenyl)methyl 2-amino-2-methylpropanoate
CID 65126970
(3-chlorophenyl)methyl 2-(3-chloroanilino)acetate
CID 65127418
N-[(3-chlorophenyl)methyl]-2-methoxyacetamide
CID 60636717
4-O-[(3-chlorophenyl)methyl] 1-O-pentadecyl butanedioate
CID 91712459
(3-chlorophenyl)methyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55368923
(3-chlorophenyl)methyl 2-carbonochloridoyl-2-ethylbutanoate
CID 91712545
(3-chlorophenyl)methyl 2-amino-3-hydroxybutanoate
CID 65127127
(3-chlorophenyl)methyl 3-methoxybenzoate
CID 91715053
(3-chlorophenyl)methyl 2-(1-aminocyclopentyl)acetate
CID 65127171

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl 2-methoxyacetate?
The IUPAC name of (3-chlorophenyl)methyl 2-methoxyacetate (CID 142607419) is (3-chlorophenyl)methyl 2-methoxyacetate.
What is the SMILES notation for (3-chlorophenyl)methyl 2-methoxyacetate?
The canonical SMILES for (3-chlorophenyl)methyl 2-methoxyacetate is COCC(=O)OCc1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)methyl 2-methoxyacetate?
The InChIKey is IXVAGEPCLHPSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-13-7-10(12)14-6-8-3-2-4-9(11)5-8/h2-5H,6-7H2,1H3.
What are the key properties of (3-chlorophenyl)methyl 2-methoxyacetate?
(3-chlorophenyl)methyl 2-methoxyacetate has a molecular weight of 214.65 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl 2-methoxyacetate is sourced from PubChem (CID 142607419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).