(2,5-dimethoxyphenyl)methyl 2-chlorobenzoate

C16H15ClO4 — CID 60606971

IUPAC(2,5-dimethoxyphenyl)methyl 2-chlorobenzoate
SMILESCOc1ccc(OC)c(COC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C16H15ClO4/c1-19-12-7-8-15(20-2)11(9-12)10-21-16(18)13-5-3-4-6-14(13)17/h3-9H,10H2,1-2H3
InChIKeyVBQSDRIPVTUTIC-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.71
Rot. Bonds5

About (2,5-dimethoxyphenyl)methyl 2-chlorobenzoate

(2,5-dimethoxyphenyl)methyl 2-chlorobenzoate (PubChem CID 60606971) has the molecular formula C16H15ClO4 and a molecular weight of 306.75 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)methyl 2-chlorobenzoate.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)methyl 2-chlorobenzoate
PubChem CID60606971
Molecular FormulaC16H15ClO4
Molecular Weight306.75 g/mol
Exact Mass306.07
IUPAC Name(2,5-dimethoxyphenyl)methyl 2-chlorobenzoate
SMILESCOc1ccc(OC)c(COC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C16H15ClO4/c1-19-12-7-8-15(20-2)11(9-12)10-21-16(18)13-5-3-4-6-14(13)17/h3-9H,10H2,1-2H3
InChIKeyVBQSDRIPVTUTIC-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

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chlorobenzoate
CID 2096696
(2,5-dimethoxyphenyl)methyl 1H-indole-3-carboxylate
CID 8644175
(2,5-dimethoxyphenyl)methyl 3-methoxybenzoate
CID 18155855
(2,5-dimethoxyphenyl)methyl 2-methylfuran-3-carboxylate
CID 78815298
(5-acetyl-2-methoxyphenyl)methyl 2,3-dichlorobenzoate
CID 2693177
(2,5-dimethoxyphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9134704
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-chlorobenzoate
CID 9412608
2-chloro-N-[2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]ethyl]benzamide
CID 78868092
(2,5-dimethoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 8879677
(2-bromo-5-methoxyphenyl)methyl 2-aminobenzoate
CID 65326650
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 623894
(2-fluoro-4-methoxyphenyl)methyl 2-amino-3-chlorobenzoate
CID 102878422

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)methyl 2-chlorobenzoate?
The IUPAC name of (2,5-dimethoxyphenyl)methyl 2-chlorobenzoate (CID 60606971) is (2,5-dimethoxyphenyl)methyl 2-chlorobenzoate.
What is the SMILES notation for (2,5-dimethoxyphenyl)methyl 2-chlorobenzoate?
The canonical SMILES for (2,5-dimethoxyphenyl)methyl 2-chlorobenzoate is COc1ccc(OC)c(COC(=O)c2ccccc2Cl)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)methyl 2-chlorobenzoate?
The InChIKey is VBQSDRIPVTUTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO4/c1-19-12-7-8-15(20-2)11(9-12)10-21-16(18)13-5-3-4-6-14(13)17/h3-9H,10H2,1-2H3.
What are the key properties of (2,5-dimethoxyphenyl)methyl 2-chlorobenzoate?
(2,5-dimethoxyphenyl)methyl 2-chlorobenzoate 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 (2,5-dimethoxyphenyl)methyl 2-chlorobenzoate is sourced from PubChem (CID 60606971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).