methyl 2-[(2-chlorophenyl)methoxymethyl]-6-methoxybenzoate

C17H17ClO4 — CID 46735306

IUPACmethyl 2-[(2-chlorophenyl)methoxymethyl]-6-methoxybenzoate
SMILESCOC(=O)c1c(COCc2ccccc2Cl)cccc1OC
InChIInChI=1S/C17H17ClO4/c1-20-15-9-5-7-13(16(15)17(19)21-2)11-22-10-12-6-3-4-8-14(12)18/h3-9H,10-11H2,1-2H3
InChIKeyCJECJVHNTHJQSC-UHFFFAOYSA-N
MW320.77 g/mol
LogP3.85
Rot. Bonds6

About methyl 2-[(2-chlorophenyl)methoxymethyl]-6-methoxybenzoate

methyl 2-[(2-chlorophenyl)methoxymethyl]-6-methoxybenzoate (PubChem CID 46735306) has the molecular formula C17H17ClO4 and a molecular weight of 320.77 g/mol. Its IUPAC name is methyl 2-[(2-chlorophenyl)methoxymethyl]-6-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[(2-chlorophenyl)methoxymethyl]-6-methoxybenzoate
PubChem CID46735306
Molecular FormulaC17H17ClO4
Molecular Weight320.77 g/mol
Exact Mass320.08
IUPAC Namemethyl 2-[(2-chlorophenyl)methoxymethyl]-6-methoxybenzoate
SMILESCOC(=O)c1c(COCc2ccccc2Cl)cccc1OC
InChIInChI=1S/C17H17ClO4/c1-20-15-9-5-7-13(16(15)17(19)21-2)11-22-10-12-6-3-4-8-14(12)18/h3-9H,10-11H2,1-2H3
InChIKeyCJECJVHNTHJQSC-UHFFFAOYSA-N
XLogP3.85
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-6-[(2-chlorophenyl)methoxymethyl]benzoate
CID 104825360
2-[(2-chlorophenyl)methoxy]-6-methoxybenzoic acid
CID 170873582
methyl 2-[(dimethylamino)methyl]-6-methoxybenzoate
CID 23258118
2-(3-chloro-2-methoxycarbonylphenyl)acetic acid
CID 91882394
methyl 2-[3-(4-chlorophenyl)propyl]-6-methoxybenzoate
CID 46735303
(2-methoxyphenyl) 2-[(2-chlorophenyl)methoxy]benzoate
CID 2392110
methyl 2-[(2-chlorophenyl)methoxy]-4-methoxybenzoate
CID 25235977
methyl 2-amino-6-[(2,3-dichlorophenyl)methoxy]benzoate
CID 107341836
2,6-dichloro-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 112766523
methyl 2-chloro-6-(3-chloro-2-oxopropyl)benzoate
CID 134649062
methyl 2-chloro-6-(methoxymethoxy)benzoate
CID 139356689
methyl 2-bromo-3-[(2-chlorophenyl)methoxy]propanoate
CID 81091609

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chlorophenyl)methoxymethyl]-6-methoxybenzoate?
The IUPAC name of methyl 2-[(2-chlorophenyl)methoxymethyl]-6-methoxybenzoate (CID 46735306) is methyl 2-[(2-chlorophenyl)methoxymethyl]-6-methoxybenzoate.
What is the SMILES notation for methyl 2-[(2-chlorophenyl)methoxymethyl]-6-methoxybenzoate?
The canonical SMILES for methyl 2-[(2-chlorophenyl)methoxymethyl]-6-methoxybenzoate is COC(=O)c1c(COCc2ccccc2Cl)cccc1OC.
What is the InChIKey of methyl 2-[(2-chlorophenyl)methoxymethyl]-6-methoxybenzoate?
The InChIKey is CJECJVHNTHJQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO4/c1-20-15-9-5-7-13(16(15)17(19)21-2)11-22-10-12-6-3-4-8-14(12)18/h3-9H,10-11H2,1-2H3.
What are the key properties of methyl 2-[(2-chlorophenyl)methoxymethyl]-6-methoxybenzoate?
methyl 2-[(2-chlorophenyl)methoxymethyl]-6-methoxybenzoate has a molecular weight of 320.77 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chlorophenyl)methoxymethyl]-6-methoxybenzoate is sourced from PubChem (CID 46735306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).