dipropyl 2-[2-(4-methoxyphenyl)ethylidene]propanedioate

C18H24O5 — CID 141473731

IUPACdipropyl 2-[2-(4-methoxyphenyl)ethylidene]propanedioate
SMILESCCCOC(=O)C(=CCc1ccc(OC)cc1)C(=O)OCCC
InChIInChI=1S/C18H24O5/c1-4-12-22-17(19)16(18(20)23-13-5-2)11-8-14-6-9-15(21-3)10-7-14/h6-7,9-11H,4-5,8,12-13H2,1-3H3
InChIKeyUDWVBFKVTYKNEI-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.07
Rot. Bonds9

About dipropyl 2-[2-(4-methoxyphenyl)ethylidene]propanedioate

dipropyl 2-[2-(4-methoxyphenyl)ethylidene]propanedioate (PubChem CID 141473731) has the molecular formula C18H24O5 and a molecular weight of 320.39 g/mol. Its IUPAC name is dipropyl 2-[2-(4-methoxyphenyl)ethylidene]propanedioate.

Molecular Properties

Compound Namedipropyl 2-[2-(4-methoxyphenyl)ethylidene]propanedioate
PubChem CID141473731
Molecular FormulaC18H24O5
Molecular Weight320.39 g/mol
Exact Mass320.16
IUPAC Namedipropyl 2-[2-(4-methoxyphenyl)ethylidene]propanedioate
SMILESCCCOC(=O)C(=CCc1ccc(OC)cc1)C(=O)OCCC
InChIInChI=1S/C18H24O5/c1-4-12-22-17(19)16(18(20)23-13-5-2)11-8-14-6-9-15(21-3)10-7-14/h6-7,9-11H,4-5,8,12-13H2,1-3H3
InChIKeyUDWVBFKVTYKNEI-UHFFFAOYSA-N
XLogP3.07
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

(E)-2,4-bis(4-methoxyphenyl)but-2-enal
CID 10493156
dipropyl 2-[4-(1,3-dioxo-1,3-dipropoxypropan-2-ylidene)cyclohexa-2,5-dien-1-ylidene]propanedioate
CID 101063941
propyl (2R)-2-amino-2-(4-methoxyphenyl)acetate
CID 163303603
1-methoxy-4-[4-(4-methoxyphenyl)but-2-enyl]benzene
CID 54485845
(E)-4-(4-methoxyphenyl)but-2-enoic acid
CID 67215752
4-(4-methoxyphenyl)but-2-enoic acid
CID 57252854
(E)-2,4-bis(4-methoxyphenyl)but-2-en-1-ol
CID 155188372
butyl (Z)-2-benzoyl-3-(4-methoxyphenyl)prop-2-enoate
CID 11624221
heptyl 2-[(4-methoxyphenyl)methylamino]-2-oxoacetate
CID 6422497
ethyl (2R)-2-hydroxy-4-(4-methoxyphenyl)butanoate
CID 102317664
propyl 2-amino-5-methoxybenzoate
CID 60837149
4-(4-methoxyphenyl)-3-methylbut-2-en-1-amine
CID 76997095

Frequently Asked Questions

What is the IUPAC name of dipropyl 2-[2-(4-methoxyphenyl)ethylidene]propanedioate?
The IUPAC name of dipropyl 2-[2-(4-methoxyphenyl)ethylidene]propanedioate (CID 141473731) is dipropyl 2-[2-(4-methoxyphenyl)ethylidene]propanedioate.
What is the SMILES notation for dipropyl 2-[2-(4-methoxyphenyl)ethylidene]propanedioate?
The canonical SMILES for dipropyl 2-[2-(4-methoxyphenyl)ethylidene]propanedioate is CCCOC(=O)C(=CCc1ccc(OC)cc1)C(=O)OCCC.
What is the InChIKey of dipropyl 2-[2-(4-methoxyphenyl)ethylidene]propanedioate?
The InChIKey is UDWVBFKVTYKNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O5/c1-4-12-22-17(19)16(18(20)23-13-5-2)11-8-14-6-9-15(21-3)10-7-14/h6-7,9-11H,4-5,8,12-13H2,1-3H3.
What are the key properties of dipropyl 2-[2-(4-methoxyphenyl)ethylidene]propanedioate?
dipropyl 2-[2-(4-methoxyphenyl)ethylidene]propanedioate has a molecular weight of 320.39 g/mol, XLogP of 3.07, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl 2-[2-(4-methoxyphenyl)ethylidene]propanedioate is sourced from PubChem (CID 141473731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).