dimethyl (Z)-2-(2-methoxycarbonylphenoxy)but-2-enedioate

C14H14O7 — CID 15941611

IUPACdimethyl (Z)-2-(2-methoxycarbonylphenoxy)but-2-enedioate
SMILESCOC(=O)/C=C(\Oc1ccccc1C(=O)OC)C(=O)OC
InChIInChI=1S/C14H14O7/c1-18-12(15)8-11(14(17)20-3)21-10-7-5-4-6-9(10)13(16)19-2/h4-8H,1-3H3/b11-8-
InChIKeyGUUSMWWRSCKCIP-FLIBITNWSA-N
MW294.26 g/mol
LogP1.08
Rot. Bonds5

About dimethyl (Z)-2-(2-methoxycarbonylphenoxy)but-2-enedioate

dimethyl (Z)-2-(2-methoxycarbonylphenoxy)but-2-enedioate (PubChem CID 15941611) has the molecular formula C14H14O7 and a molecular weight of 294.26 g/mol. Its IUPAC name is dimethyl (Z)-2-(2-methoxycarbonylphenoxy)but-2-enedioate.

Molecular Properties

Compound Namedimethyl (Z)-2-(2-methoxycarbonylphenoxy)but-2-enedioate
PubChem CID15941611
Molecular FormulaC14H14O7
Molecular Weight294.26 g/mol
Exact Mass294.07
IUPAC Namedimethyl (Z)-2-(2-methoxycarbonylphenoxy)but-2-enedioate
SMILESCOC(=O)/C=C(\Oc1ccccc1C(=O)OC)C(=O)OC
InChIInChI=1S/C14H14O7/c1-18-12(15)8-11(14(17)20-3)21-10-7-5-4-6-9(10)13(16)19-2/h4-8H,1-3H3/b11-8-
InChIKeyGUUSMWWRSCKCIP-FLIBITNWSA-N
XLogP1.08
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

dimethyl (E)-2-(2-methylphenoxy)but-2-enedioate
CID 14569248
methyl 2-(2,2,2-trideuterioacetyl)oxybenzoate
CID 165349199
methyl 2-[(E)-3-phenylprop-2-enoyl]oxybenzoate
CID 6232774
dimethyl (E)-2-(2-methoxycarbonylanilino)but-2-enedioate
CID 168566533
dimethyl (Z)-2-(1-formylnaphthalen-2-yl)oxybut-2-enedioate
CID 23650328
methyl 2-(2-hydroxyphenoxy)carbonyloxybenzoate
CID 69027946
ethane;methyl 2-methoxybenzoate
CID 178037044
dimethyl (Z)-2-[benzoyl-[(E)-[2-[(Z)-1,4-dimethoxy-1,4-dioxobut-2-en-2-yl]oxyphenyl]methylideneamino]amino]but-2-enedioate
CID 177404478
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-ethenoxybenzoate
CID 66368826
methyl 3-[(E)-1-(2-chlorophenyl)-3-methoxy-3-oxoprop-1-en-2-yl]oxy-2-hydroxybenzoate
CID 71497233
methyl 2-(2-chloropropanoyloxy)benzoate
CID 151617516

Frequently Asked Questions

What is the IUPAC name of dimethyl (Z)-2-(2-methoxycarbonylphenoxy)but-2-enedioate?
The IUPAC name of dimethyl (Z)-2-(2-methoxycarbonylphenoxy)but-2-enedioate (CID 15941611) is dimethyl (Z)-2-(2-methoxycarbonylphenoxy)but-2-enedioate.
What is the SMILES notation for dimethyl (Z)-2-(2-methoxycarbonylphenoxy)but-2-enedioate?
The canonical SMILES for dimethyl (Z)-2-(2-methoxycarbonylphenoxy)but-2-enedioate is COC(=O)/C=C(\Oc1ccccc1C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl (Z)-2-(2-methoxycarbonylphenoxy)but-2-enedioate?
The InChIKey is GUUSMWWRSCKCIP-FLIBITNWSA-N. The full InChI is InChI=1S/C14H14O7/c1-18-12(15)8-11(14(17)20-3)21-10-7-5-4-6-9(10)13(16)19-2/h4-8H,1-3H3/b11-8-.
What are the key properties of dimethyl (Z)-2-(2-methoxycarbonylphenoxy)but-2-enedioate?
dimethyl (Z)-2-(2-methoxycarbonylphenoxy)but-2-enedioate has a molecular weight of 294.26 g/mol, XLogP of 1.08, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (Z)-2-(2-methoxycarbonylphenoxy)but-2-enedioate is sourced from PubChem (CID 15941611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).