dimethyl 2-[(Z)-3-(4-methoxyphenyl)prop-2-enyl]propanedioate

C15H18O5 — CID 102494225

IUPACdimethyl 2-[(Z)-3-(4-methoxyphenyl)prop-2-enyl]propanedioate
SMILESCOC(=O)C(C/C=C\c1ccc(OC)cc1)C(=O)OC
InChIInChI=1S/C15H18O5/c1-18-12-9-7-11(8-10-12)5-4-6-13(14(16)19-2)15(17)20-3/h4-5,7-10,13H,6H2,1-3H3/b5-4-
InChIKeyGPUGWHJBYAMXLX-PLNGDYQASA-N
MW278.30 g/mol
LogP2.06
Rot. Bonds6

About dimethyl 2-[(Z)-3-(4-methoxyphenyl)prop-2-enyl]propanedioate

dimethyl 2-[(Z)-3-(4-methoxyphenyl)prop-2-enyl]propanedioate (PubChem CID 102494225) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is dimethyl 2-[(Z)-3-(4-methoxyphenyl)prop-2-enyl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[(Z)-3-(4-methoxyphenyl)prop-2-enyl]propanedioate
PubChem CID102494225
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Namedimethyl 2-[(Z)-3-(4-methoxyphenyl)prop-2-enyl]propanedioate
SMILESCOC(=O)C(C/C=C\c1ccc(OC)cc1)C(=O)OC
InChIInChI=1S/C15H18O5/c1-18-12-9-7-11(8-10-12)5-4-6-13(14(16)19-2)15(17)20-3/h4-5,7-10,13H,6H2,1-3H3/b5-4-
InChIKeyGPUGWHJBYAMXLX-PLNGDYQASA-N
XLogP2.06
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-5-(4-methoxyphenyl)-2-nitropent-4-enoate
CID 102578095
(E)-5-(4-methoxyphenyl)pent-4-en-2-amine
CID 55254782
methyl (E)-4-(4-methoxyphenyl)-2-methylbut-3-enoate
CID 139242095
(E)-4-(4-methoxyphenyl)-N,N-dimethylbut-3-enamide
CID 11424540
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide
CID 129353993
CID 71769880
CID 71769880
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
5-(4-methoxyphenyl)pent-4-enoic acid
CID 54081465
ethyl N-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]carbamate
CID 134116743
2-[3-(4-methoxyphenyl)prop-2-enoxyamino]prop-2-enoic acid
CID 57005653
methyl (2S)-3-hydroxy-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate
CID 9277444
[(E)-3-(4-methoxyphenyl)prop-2-enyl] 2,2-diphenylacetate
CID 101380473

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(Z)-3-(4-methoxyphenyl)prop-2-enyl]propanedioate?
The IUPAC name of dimethyl 2-[(Z)-3-(4-methoxyphenyl)prop-2-enyl]propanedioate (CID 102494225) is dimethyl 2-[(Z)-3-(4-methoxyphenyl)prop-2-enyl]propanedioate.
What is the SMILES notation for dimethyl 2-[(Z)-3-(4-methoxyphenyl)prop-2-enyl]propanedioate?
The canonical SMILES for dimethyl 2-[(Z)-3-(4-methoxyphenyl)prop-2-enyl]propanedioate is COC(=O)C(C/C=C\c1ccc(OC)cc1)C(=O)OC.
What is the InChIKey of dimethyl 2-[(Z)-3-(4-methoxyphenyl)prop-2-enyl]propanedioate?
The InChIKey is GPUGWHJBYAMXLX-PLNGDYQASA-N. The full InChI is InChI=1S/C15H18O5/c1-18-12-9-7-11(8-10-12)5-4-6-13(14(16)19-2)15(17)20-3/h4-5,7-10,13H,6H2,1-3H3/b5-4-.
What are the key properties of dimethyl 2-[(Z)-3-(4-methoxyphenyl)prop-2-enyl]propanedioate?
dimethyl 2-[(Z)-3-(4-methoxyphenyl)prop-2-enyl]propanedioate has a molecular weight of 278.30 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(Z)-3-(4-methoxyphenyl)prop-2-enyl]propanedioate is sourced from PubChem (CID 102494225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).