methyl 2-[(2-chlorophenyl)methoxy]-4-methoxybenzoate

C16H15ClO4 — CID 25235977

IUPACmethyl 2-[(2-chlorophenyl)methoxy]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1OCc1ccccc1Cl
InChIInChI=1S/C16H15ClO4/c1-19-12-7-8-13(16(18)20-2)15(9-12)21-10-11-5-3-4-6-14(11)17/h3-9H,10H2,1-2H3
InChIKeyARLUVJNGBNBZRQ-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.71
Rot. Bonds5

About methyl 2-[(2-chlorophenyl)methoxy]-4-methoxybenzoate

methyl 2-[(2-chlorophenyl)methoxy]-4-methoxybenzoate (PubChem CID 25235977) has the molecular formula C16H15ClO4 and a molecular weight of 306.75 g/mol. Its IUPAC name is methyl 2-[(2-chlorophenyl)methoxy]-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[(2-chlorophenyl)methoxy]-4-methoxybenzoate
PubChem CID25235977
Molecular FormulaC16H15ClO4
Molecular Weight306.75 g/mol
Exact Mass306.07
IUPAC Namemethyl 2-[(2-chlorophenyl)methoxy]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1OCc1ccccc1Cl
InChIInChI=1S/C16H15ClO4/c1-19-12-7-8-13(16(18)20-2)15(9-12)21-10-11-5-3-4-6-14(11)17/h3-9H,10H2,1-2H3
InChIKeyARLUVJNGBNBZRQ-UHFFFAOYSA-N
XLogP3.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-(2-chlorophenoxy)ethoxy]-4-methoxybenzoate
CID 78766506
methyl 2-[(2-cyanophenyl)methoxy]-4-methoxybenzoate
CID 26676915
methyl 2-acetamido-5-[(2-chlorophenyl)methoxy]benzoate
CID 25235967
[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methanol
CID 43267981
4-[2-[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]ethylamino]-4-oxobutanoic acid
CID 22681232
methyl 2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-4-methoxybenzoate
CID 16563809
N-[[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]ethanamine
CID 60878145
2-(chloromethyl)-1-[(2-chlorophenyl)methoxy]-4-methoxybenzene
CID 43268073
methyl 4-methoxy-2-(2-phenoxyethoxy)benzoate
CID 78766507
N-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methyl]-2-cyanoacetamide
CID 20992512
(2-methoxyphenyl) 2-[(2-chlorophenyl)methoxy]benzoate
CID 2392110
1-[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 60880037

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chlorophenyl)methoxy]-4-methoxybenzoate?
The IUPAC name of methyl 2-[(2-chlorophenyl)methoxy]-4-methoxybenzoate (CID 25235977) is methyl 2-[(2-chlorophenyl)methoxy]-4-methoxybenzoate.
What is the SMILES notation for methyl 2-[(2-chlorophenyl)methoxy]-4-methoxybenzoate?
The canonical SMILES for methyl 2-[(2-chlorophenyl)methoxy]-4-methoxybenzoate is COC(=O)c1ccc(OC)cc1OCc1ccccc1Cl.
What is the InChIKey of methyl 2-[(2-chlorophenyl)methoxy]-4-methoxybenzoate?
The InChIKey is ARLUVJNGBNBZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO4/c1-19-12-7-8-13(16(18)20-2)15(9-12)21-10-11-5-3-4-6-14(11)17/h3-9H,10H2,1-2H3.
What are the key properties of methyl 2-[(2-chlorophenyl)methoxy]-4-methoxybenzoate?
methyl 2-[(2-chlorophenyl)methoxy]-4-methoxybenzoate has a molecular weight of 306.75 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chlorophenyl)methoxy]-4-methoxybenzoate is sourced from PubChem (CID 25235977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).