methyl 2-chloro-6-(methoxymethoxy)benzoate

C10H11ClO4 — CID 139356689

IUPACmethyl 2-chloro-6-(methoxymethoxy)benzoate
SMILESCOCOc1cccc(Cl)c1C(=O)OC
InChIInChI=1S/C10H11ClO4/c1-13-6-15-8-5-3-4-7(11)9(8)10(12)14-2/h3-5H,6H2,1-2H3
InChIKeyXZFHFSWAERXSMH-UHFFFAOYSA-N
MW230.65 g/mol
LogP2.11
Rot. Bonds4

About methyl 2-chloro-6-(methoxymethoxy)benzoate

methyl 2-chloro-6-(methoxymethoxy)benzoate (PubChem CID 139356689) has the molecular formula C10H11ClO4 and a molecular weight of 230.65 g/mol. Its IUPAC name is methyl 2-chloro-6-(methoxymethoxy)benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-6-(methoxymethoxy)benzoate
PubChem CID139356689
Molecular FormulaC10H11ClO4
Molecular Weight230.65 g/mol
Exact Mass230.03
IUPAC Namemethyl 2-chloro-6-(methoxymethoxy)benzoate
SMILESCOCOc1cccc(Cl)c1C(=O)OC
InChIInChI=1S/C10H11ClO4/c1-13-6-15-8-5-3-4-7(11)9(8)10(12)14-2/h3-5H,6H2,1-2H3
InChIKeyXZFHFSWAERXSMH-UHFFFAOYSA-N
XLogP2.11
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[2-fluoro-6-(methoxymethoxy)benzoyl]benzoate
CID 54443547
2-(3-chloro-2-methoxycarbonylphenyl)acetic acid
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2-bromo-1-chloro-3-(methoxymethoxy)benzene
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methyl 2-chloro-6-(3-chloropropyl)benzoate
CID 134649012
N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine
CID 114318997
2-chloro-6-(ethoxymethoxy)benzoic acid
CID 114320348
2,6-dichlorobenzoic acid;methyl 2,6-dichlorobenzoate;molecular hydrogen
CID 159853083
methyl 2-amino-6-chlorobenzoate;hydrochloride
CID 84819290
methyl 2-amino-6-[(2,3-dichlorophenyl)methoxy]benzoate
CID 107341836
methoxymethyl 2-amino-6-chlorobenzoate
CID 65364299
methyl 5-chloro-2,4-bis(methoxymethoxy)benzoate
CID 57440512
methyl 2-chloro-6-prop-1-en-2-ylbenzoate
CID 129080595

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-6-(methoxymethoxy)benzoate?
The IUPAC name of methyl 2-chloro-6-(methoxymethoxy)benzoate (CID 139356689) is methyl 2-chloro-6-(methoxymethoxy)benzoate.
What is the SMILES notation for methyl 2-chloro-6-(methoxymethoxy)benzoate?
The canonical SMILES for methyl 2-chloro-6-(methoxymethoxy)benzoate is COCOc1cccc(Cl)c1C(=O)OC.
What is the InChIKey of methyl 2-chloro-6-(methoxymethoxy)benzoate?
The InChIKey is XZFHFSWAERXSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO4/c1-13-6-15-8-5-3-4-7(11)9(8)10(12)14-2/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-chloro-6-(methoxymethoxy)benzoate?
methyl 2-chloro-6-(methoxymethoxy)benzoate has a molecular weight of 230.65 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-6-(methoxymethoxy)benzoate is sourced from PubChem (CID 139356689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).