(2,3-dimethoxyphenyl)methyl 3-phenoxybenzoate

C22H20O5 — CID 7921133

IUPAC(2,3-dimethoxyphenyl)methyl 3-phenoxybenzoate
SMILESCOc1cccc(COC(=O)c2cccc(Oc3ccccc3)c2)c1OC
InChIInChI=1S/C22H20O5/c1-24-20-13-7-9-17(21(20)25-2)15-26-22(23)16-8-6-12-19(14-16)27-18-10-4-3-5-11-18/h3-14H,15H2,1-2H3
InChIKeyCNSOAABRXPPIAM-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.85
Rot. Bonds7

About (2,3-dimethoxyphenyl)methyl 3-phenoxybenzoate

(2,3-dimethoxyphenyl)methyl 3-phenoxybenzoate (PubChem CID 7921133) has the molecular formula C22H20O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)methyl 3-phenoxybenzoate.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)methyl 3-phenoxybenzoate
PubChem CID7921133
Molecular FormulaC22H20O5
Molecular Weight364.40 g/mol
Exact Mass364.13
IUPAC Name(2,3-dimethoxyphenyl)methyl 3-phenoxybenzoate
SMILESCOc1cccc(COC(=O)c2cccc(Oc3ccccc3)c2)c1OC
InChIInChI=1S/C22H20O5/c1-24-20-13-7-9-17(21(20)25-2)15-26-22(23)16-8-6-12-19(14-16)27-18-10-4-3-5-11-18/h3-14H,15H2,1-2H3
InChIKeyCNSOAABRXPPIAM-UHFFFAOYSA-N
XLogP4.85
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-dimethoxyphenyl)methyl 3-methoxybenzoate
CID 18155855
(2,3-dimethoxyphenyl)methyl 3-acetamido-4-fluorobenzoate
CID 47069815
ethyl 2-(benzoyloxymethyl)-6-methoxybenzoate
CID 46735271
(2,6-dimethoxyphenyl) 4-phenoxybenzoate
CID 7934769
[2-(methylamino)-2-oxoethyl] 3-phenoxybenzoate
CID 2427068
(3-nitrophenyl)methyl 3-phenoxybenzoate
CID 2097644
naphthalen-1-ylmethyl 3-ethoxy-4-methoxybenzoate
CID 7906497
(2-hydroxy-6-methoxyphenyl)methyl benzoate
CID 127260385
(2-methoxyphenyl)methyl 4-hydroxybenzoate
CID 7777293
benzyl 3-acetyloxybenzoate
CID 11334719
(1R,6S)-6-[(2,3-dimethoxyphenyl)methoxycarbonyl]cyclohex-3-ene-1-carboxylic acid
CID 40542924
(2-chloro-4-fluorophenyl)methyl 3-methoxybenzoate
CID 2215684

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)methyl 3-phenoxybenzoate?
The IUPAC name of (2,3-dimethoxyphenyl)methyl 3-phenoxybenzoate (CID 7921133) is (2,3-dimethoxyphenyl)methyl 3-phenoxybenzoate.
What is the SMILES notation for (2,3-dimethoxyphenyl)methyl 3-phenoxybenzoate?
The canonical SMILES for (2,3-dimethoxyphenyl)methyl 3-phenoxybenzoate is COc1cccc(COC(=O)c2cccc(Oc3ccccc3)c2)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)methyl 3-phenoxybenzoate?
The InChIKey is CNSOAABRXPPIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O5/c1-24-20-13-7-9-17(21(20)25-2)15-26-22(23)16-8-6-12-19(14-16)27-18-10-4-3-5-11-18/h3-14H,15H2,1-2H3.
What are the key properties of (2,3-dimethoxyphenyl)methyl 3-phenoxybenzoate?
(2,3-dimethoxyphenyl)methyl 3-phenoxybenzoate has a molecular weight of 364.40 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)methyl 3-phenoxybenzoate is sourced from PubChem (CID 7921133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).