bis(4-prop-2-enylphenyl) (Z)-but-2-enedioate

C22H20O4 — CID 67944878

IUPACbis(4-prop-2-enylphenyl) (Z)-but-2-enedioate
SMILESC=CCc1ccc(OC(=O)/C=C\C(=O)Oc2ccc(CC=C)cc2)cc1
InChIInChI=1S/C22H20O4/c1-3-5-17-7-11-19(12-8-17)25-21(23)15-16-22(24)26-20-13-9-18(6-4-2)10-14-20/h3-4,7-16H,1-2,5-6H2/b16-15-
InChIKeyUATSVXPTONVPRO-NXVVXOECSA-N
MW348.40 g/mol
LogP4.21
Rot. Bonds8

About bis(4-prop-2-enylphenyl) (Z)-but-2-enedioate

bis(4-prop-2-enylphenyl) (Z)-but-2-enedioate (PubChem CID 67944878) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is bis(4-prop-2-enylphenyl) (Z)-but-2-enedioate.

Molecular Properties

Compound Namebis(4-prop-2-enylphenyl) (Z)-but-2-enedioate
PubChem CID67944878
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Namebis(4-prop-2-enylphenyl) (Z)-but-2-enedioate
SMILESC=CCc1ccc(OC(=O)/C=C\C(=O)Oc2ccc(CC=C)cc2)cc1
InChIInChI=1S/C22H20O4/c1-3-5-17-7-11-19(12-8-17)25-21(23)15-16-22(24)26-20-13-9-18(6-4-2)10-14-20/h3-4,7-16H,1-2,5-6H2/b16-15-
InChIKeyUATSVXPTONVPRO-NXVVXOECSA-N
XLogP4.21
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-prop-2-enylphenyl) 2-hydroperoxyacetate
CID 88806265
[4-(2-oxoethyl)phenyl] prop-2-enoate
CID 141400952
oxozinc;1-prop-2-enyl-4-(4-prop-2-enylphenyl)peroxybenzene
CID 174931923
4-(4-prop-2-enylphenoxy)phenol
CID 141330239
[4-[2-(4-prop-2-enoyloxyphenyl)ethyl]phenyl] but-2-enoate
CID 174951659
1,2-bis[4-(4-prop-2-enylphenyl)phenyl]ethane-1,2-dione
CID 67848404
(4-prop-2-enylphenyl) 4-oct-7-enylcyclohexane-1-carboxylate
CID 141222555
bis(4-fluorophenyl) (E)-but-2-enedioate
CID 175341971
1-prop-2-enoxy-4-[4-(4-prop-2-enylphenyl)phenyl]benzene
CID 67815398
[4-[4-(2-oxobut-3-enyl)phenyl]phenyl] prop-2-enoate
CID 134168478
4-(4-ethenylphenoxy)-4-oxobut-2-enoic acid
CID 68934918
fluoro 4-prop-2-enylbenzoate
CID 20652812

Frequently Asked Questions

What is the IUPAC name of bis(4-prop-2-enylphenyl) (Z)-but-2-enedioate?
The IUPAC name of bis(4-prop-2-enylphenyl) (Z)-but-2-enedioate (CID 67944878) is bis(4-prop-2-enylphenyl) (Z)-but-2-enedioate.
What is the SMILES notation for bis(4-prop-2-enylphenyl) (Z)-but-2-enedioate?
The canonical SMILES for bis(4-prop-2-enylphenyl) (Z)-but-2-enedioate is C=CCc1ccc(OC(=O)/C=C\C(=O)Oc2ccc(CC=C)cc2)cc1.
What is the InChIKey of bis(4-prop-2-enylphenyl) (Z)-but-2-enedioate?
The InChIKey is UATSVXPTONVPRO-NXVVXOECSA-N. The full InChI is InChI=1S/C22H20O4/c1-3-5-17-7-11-19(12-8-17)25-21(23)15-16-22(24)26-20-13-9-18(6-4-2)10-14-20/h3-4,7-16H,1-2,5-6H2/b16-15-.
What are the key properties of bis(4-prop-2-enylphenyl) (Z)-but-2-enedioate?
bis(4-prop-2-enylphenyl) (Z)-but-2-enedioate has a molecular weight of 348.40 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-prop-2-enylphenyl) (Z)-but-2-enedioate is sourced from PubChem (CID 67944878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).