methyl 6-[(E)-2-phenylethenyl]-2,3-dihydro-1,4-dioxine-5-carboxylate

C14H14O4 — CID 11043032

IUPACmethyl 6-[(E)-2-phenylethenyl]-2,3-dihydro-1,4-dioxine-5-carboxylate
SMILESCOC(=O)C1=C(/C=C/c2ccccc2)OCCO1
InChIInChI=1S/C14H14O4/c1-16-14(15)13-12(17-9-10-18-13)8-7-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3/b8-7+
InChIKeyBXJWGVQYDNPKNP-BQYQJAHWSA-N
MW246.26 g/mol
LogP2.13
Rot. Bonds3

About methyl 6-[(E)-2-phenylethenyl]-2,3-dihydro-1,4-dioxine-5-carboxylate

methyl 6-[(E)-2-phenylethenyl]-2,3-dihydro-1,4-dioxine-5-carboxylate (PubChem CID 11043032) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is methyl 6-[(E)-2-phenylethenyl]-2,3-dihydro-1,4-dioxine-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(E)-2-phenylethenyl]-2,3-dihydro-1,4-dioxine-5-carboxylate
PubChem CID11043032
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Namemethyl 6-[(E)-2-phenylethenyl]-2,3-dihydro-1,4-dioxine-5-carboxylate
SMILESCOC(=O)C1=C(/C=C/c2ccccc2)OCCO1
InChIInChI=1S/C14H14O4/c1-16-14(15)13-12(17-9-10-18-13)8-7-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3/b8-7+
InChIKeyBXJWGVQYDNPKNP-BQYQJAHWSA-N
XLogP2.13
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

acetic acid;stilbene
CID 172803728
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
methyl 5-methyl-2-(2-phenylethenyl)-1,3-oxazole-4-carboxylate
CID 139896442
methyl 2-methoxy-5-[(E)-2-phenylethenyl]benzoate
CID 155479645
methyl 4-oxo-6-[(E)-2-phenylethenyl]pyran-2-carboxylate
CID 162787655
methyl 6-[(E)-2-phenylethenyl]-2H-thiopyran-3-carboxylate
CID 102420829
methyl 2-amino-5-(2-phenylethenyl)benzoate
CID 70119663
methyl 2-[(E)-3-phenylprop-2-enoyl]benzoate
CID 10333131
methyl carbamate;oxetane;styrene
CID 68829385
dimethyl benzene-1,2-dicarboxylate;methyl (E)-3-phenylprop-2-enoate
CID 19966781
methyl 4-oxo-6-phenylhexa-2,5-dienoate
CID 57362438
ethyl 2-(2-methoxy-2-oxoethyl)-5-[(E)-2-phenylethenyl]-2,3-dihydrofuran-4-carboxylate
CID 102293123

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(E)-2-phenylethenyl]-2,3-dihydro-1,4-dioxine-5-carboxylate?
The IUPAC name of methyl 6-[(E)-2-phenylethenyl]-2,3-dihydro-1,4-dioxine-5-carboxylate (CID 11043032) is methyl 6-[(E)-2-phenylethenyl]-2,3-dihydro-1,4-dioxine-5-carboxylate.
What is the SMILES notation for methyl 6-[(E)-2-phenylethenyl]-2,3-dihydro-1,4-dioxine-5-carboxylate?
The canonical SMILES for methyl 6-[(E)-2-phenylethenyl]-2,3-dihydro-1,4-dioxine-5-carboxylate is COC(=O)C1=C(/C=C/c2ccccc2)OCCO1.
What is the InChIKey of methyl 6-[(E)-2-phenylethenyl]-2,3-dihydro-1,4-dioxine-5-carboxylate?
The InChIKey is BXJWGVQYDNPKNP-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H14O4/c1-16-14(15)13-12(17-9-10-18-13)8-7-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3/b8-7+.
What are the key properties of methyl 6-[(E)-2-phenylethenyl]-2,3-dihydro-1,4-dioxine-5-carboxylate?
methyl 6-[(E)-2-phenylethenyl]-2,3-dihydro-1,4-dioxine-5-carboxylate has a molecular weight of 246.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(E)-2-phenylethenyl]-2,3-dihydro-1,4-dioxine-5-carboxylate is sourced from PubChem (CID 11043032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).