dimethyl 2-phenoxybenzene-1,4-dicarboxylate

C16H14O5 — CID 23436153

IUPACdimethyl 2-phenoxybenzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(Oc2ccccc2)c1
InChIInChI=1S/C16H14O5/c1-19-15(17)11-8-9-13(16(18)20-2)14(10-11)21-12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyGQHAGXIGLCZUHY-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.05
Rot. Bonds4

About dimethyl 2-phenoxybenzene-1,4-dicarboxylate

dimethyl 2-phenoxybenzene-1,4-dicarboxylate (PubChem CID 23436153) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is dimethyl 2-phenoxybenzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-phenoxybenzene-1,4-dicarboxylate
PubChem CID23436153
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Namedimethyl 2-phenoxybenzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(Oc2ccccc2)c1
InChIInChI=1S/C16H14O5/c1-19-15(17)11-8-9-13(16(18)20-2)14(10-11)21-12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyGQHAGXIGLCZUHY-UHFFFAOYSA-N
XLogP3.05
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-methyl-3-phenoxybenzoate
CID 15210812
diethyl 2-phenoxybenzene-1,4-dicarboxylate;diphenylmethanone
CID 174910592
methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-phenoxybenzoate
CID 10760874
methyl 5-amino-2-phenoxybenzoate
CID 23019285
2-methoxycarbonyl-4-phenoxybenzoic acid
CID 142601044
(4-methoxycarbonylphenyl) 4-phenoxybenzoate
CID 2677999
dimethyl 4-[benzyl-[(4-phenoxyphenyl)methyl]carbamoyl]benzene-1,3-dicarboxylate
CID 67767744
bis(2-methoxycarbonylphenyl) naphthalene-2,6-dicarboxylate
CID 139985709
methyl 2-methoxy-5-phenoxybenzoate
CID 82552164
methyl 4-methoxy-2-(2-phenoxyethoxy)benzoate
CID 78766507
methyl 5-acetyl-2-anilino-4-phenoxybenzoate
CID 11089732
dimethyl benzene-1,2-dicarboxylate;dimethyl benzene-1,3-dicarboxylate;terephthalic acid
CID 67578503

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-phenoxybenzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-phenoxybenzene-1,4-dicarboxylate (CID 23436153) is dimethyl 2-phenoxybenzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-phenoxybenzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-phenoxybenzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(Oc2ccccc2)c1.
What is the InChIKey of dimethyl 2-phenoxybenzene-1,4-dicarboxylate?
The InChIKey is GQHAGXIGLCZUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-19-15(17)11-8-9-13(16(18)20-2)14(10-11)21-12-6-4-3-5-7-12/h3-10H,1-2H3.
What are the key properties of dimethyl 2-phenoxybenzene-1,4-dicarboxylate?
dimethyl 2-phenoxybenzene-1,4-dicarboxylate has a molecular weight of 286.28 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-phenoxybenzene-1,4-dicarboxylate is sourced from PubChem (CID 23436153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).