diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate

C19H20O5 — CID 11393300

IUPACdiethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
SMILESCCOC(=O)c1cc(OCc2ccccc2)cc(C(=O)OCC)c1
InChIInChI=1S/C19H20O5/c1-3-22-18(20)15-10-16(19(21)23-4-2)12-17(11-15)24-13-14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3
InChIKeyCMFDQONILFCUAO-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.62
Rot. Bonds7

About diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate

diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate (PubChem CID 11393300) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
PubChem CID11393300
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Namediethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
SMILESCCOC(=O)c1cc(OCc2ccccc2)cc(C(=O)OCC)c1
InChIInChI=1S/C19H20O5/c1-3-22-18(20)15-10-16(19(21)23-4-2)12-17(11-15)24-13-14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3
InChIKeyCMFDQONILFCUAO-UHFFFAOYSA-N
XLogP3.62
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
diethyl 5-[(4-cyanophenyl)methoxy]benzene-1,3-dicarboxylate
CID 7643441
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
ethyl 3,5-difluoro-4-phenylmethoxybenzoate
CID 165353841
ethyl 4-phenylmethoxynaphthalene-2-carboxylate
CID 22127020
ethyl 4-amino-3-phenylmethoxybenzoate
CID 79021529
ethyl 6-acetyl-4-phenylmethoxypyridine-2-carboxylate
CID 90294474
diethyl 5-[[3-[[3,5-bis(ethoxycarbonyl)phenyl]methoxy]-5-(hydroxymethyl)phenoxy]methyl]benzene-1,3-dicarboxylate
CID 23255595
4-ethoxycarbonyl-2-phenylmethoxybenzoic acid
CID 175330974
benzyl 3,5-bis(phenylmethoxy)benzoate;3,5-dihydroxybenzoic acid
CID 158844750
ethyl acetate;ethyl 4-methyl-7-phenylmethoxynaphthalene-2-carboxylate
CID 90757798
ethyl 3-bromo-4-phenylmethoxybenzoate
CID 54793242

Frequently Asked Questions

What is the IUPAC name of diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate?
The IUPAC name of diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate (CID 11393300) is diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate.
What is the SMILES notation for diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate?
The canonical SMILES for diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate is CCOC(=O)c1cc(OCc2ccccc2)cc(C(=O)OCC)c1.
What is the InChIKey of diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate?
The InChIKey is CMFDQONILFCUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-3-22-18(20)15-10-16(19(21)23-4-2)12-17(11-15)24-13-14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3.
What are the key properties of diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate?
diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate has a molecular weight of 328.36 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate is sourced from PubChem (CID 11393300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).