[4-[4-[2-[3,4-di(prop-2-enoyloxy)phenyl]ethoxymethyl]phenyl]phenyl] prop-2-enoate

C30H26O7 — CID 129065344

IUPAC[4-[4-[2-[3,4-di(prop-2-enoyloxy)phenyl]ethoxymethyl]phenyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccc(COCCc3ccc(OC(=O)C=C)c(OC(=O)C=C)c3)cc2)cc1
InChIInChI=1S/C30H26O7/c1-4-28(31)35-25-14-12-24(13-15-25)23-10-7-22(8-11-23)20-34-18-17-21-9-16-26(36-29(32)5-2)27(19-21)37-30(33)6-3/h4-16,19H,1-3,17-18,20H2
InChIKeyTUSUZQNCGFLEHL-UHFFFAOYSA-N
MW498.53 g/mol
LogP5.39
Rot. Bonds12

About [4-[4-[2-[3,4-di(prop-2-enoyloxy)phenyl]ethoxymethyl]phenyl]phenyl] prop-2-enoate

[4-[4-[2-[3,4-di(prop-2-enoyloxy)phenyl]ethoxymethyl]phenyl]phenyl] prop-2-enoate (PubChem CID 129065344) has the molecular formula C30H26O7 and a molecular weight of 498.53 g/mol. Its IUPAC name is [4-[4-[2-[3,4-di(prop-2-enoyloxy)phenyl]ethoxymethyl]phenyl]phenyl] prop-2-enoate.

Molecular Properties

Compound Name[4-[4-[2-[3,4-di(prop-2-enoyloxy)phenyl]ethoxymethyl]phenyl]phenyl] prop-2-enoate
PubChem CID129065344
Molecular FormulaC30H26O7
Molecular Weight498.53 g/mol
Exact Mass498.17
IUPAC Name[4-[4-[2-[3,4-di(prop-2-enoyloxy)phenyl]ethoxymethyl]phenyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccc(COCCc3ccc(OC(=O)C=C)c(OC(=O)C=C)c3)cc2)cc1
InChIInChI=1S/C30H26O7/c1-4-28(31)35-25-14-12-24(13-15-25)23-10-7-22(8-11-23)20-34-18-17-21-9-16-26(36-29(32)5-2)27(19-21)37-30(33)6-3/h4-16,19H,1-3,17-18,20H2
InChIKeyTUSUZQNCGFLEHL-UHFFFAOYSA-N
XLogP5.39
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.53
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[4-[3-[3,4-di(prop-2-enoyloxy)phenyl]propanoyloxy]phenyl]phenyl] 2-methylpropanoate
CID 146245833
2-[3,4-di(prop-2-enoyloxy)phenyl]ethyl 4-[4-(3-prop-2-enoyloxypropoxy)phenyl]benzoate
CID 121338809
[4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] prop-2-enoate
CID 121370037
[2-fluoro-4-(4-methoxyphenyl)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]propanoate
CID 134467370
[2-prop-2-enoyloxy-4-[4-[3-(4-prop-2-enoyloxyphenyl)propanoyloxy]phenyl]phenyl] 2-methylprop-2-enoate
CID 118680428
[4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 67892187
[4-[4-(2-oxobut-3-enyl)phenyl]phenyl] prop-2-enoate
CID 134168478
[4-[4-[4-[3-[3,4-di(prop-2-enoyloxy)phenyl]propanoyloxy]phenyl]-2,3-difluorophenyl]phenyl] 2-methylprop-2-enoate
CID 126611178
[4-[2-[3,5-di(prop-2-enoyloxy)phenyl]ethyl]phenyl] prop-2-enoate
CID 126633239
[4-[4-[2-[3,5-di(prop-2-enoyloxy)phenoxy]ethoxy]phenyl]phenyl] prop-2-enoate
CID 144902457
[4-(4-methyl-N-[4-[[4-(4-methyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]methoxymethyl]phenyl]anilino)phenyl] prop-2-enoate
CID 22089867
2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
CID 58556788

Frequently Asked Questions

What is the IUPAC name of [4-[4-[2-[3,4-di(prop-2-enoyloxy)phenyl]ethoxymethyl]phenyl]phenyl] prop-2-enoate?
The IUPAC name of [4-[4-[2-[3,4-di(prop-2-enoyloxy)phenyl]ethoxymethyl]phenyl]phenyl] prop-2-enoate (CID 129065344) is [4-[4-[2-[3,4-di(prop-2-enoyloxy)phenyl]ethoxymethyl]phenyl]phenyl] prop-2-enoate.
What is the SMILES notation for [4-[4-[2-[3,4-di(prop-2-enoyloxy)phenyl]ethoxymethyl]phenyl]phenyl] prop-2-enoate?
The canonical SMILES for [4-[4-[2-[3,4-di(prop-2-enoyloxy)phenyl]ethoxymethyl]phenyl]phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(-c2ccc(COCCc3ccc(OC(=O)C=C)c(OC(=O)C=C)c3)cc2)cc1.
What is the InChIKey of [4-[4-[2-[3,4-di(prop-2-enoyloxy)phenyl]ethoxymethyl]phenyl]phenyl] prop-2-enoate?
The InChIKey is TUSUZQNCGFLEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O7/c1-4-28(31)35-25-14-12-24(13-15-25)23-10-7-22(8-11-23)20-34-18-17-21-9-16-26(36-29(32)5-2)27(19-21)37-30(33)6-3/h4-16,19H,1-3,17-18,20H2.
What are the key properties of [4-[4-[2-[3,4-di(prop-2-enoyloxy)phenyl]ethoxymethyl]phenyl]phenyl] prop-2-enoate?
[4-[4-[2-[3,4-di(prop-2-enoyloxy)phenyl]ethoxymethyl]phenyl]phenyl] prop-2-enoate has a molecular weight of 498.53 g/mol, XLogP of 5.39, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[2-[3,4-di(prop-2-enoyloxy)phenyl]ethoxymethyl]phenyl]phenyl] prop-2-enoate is sourced from PubChem (CID 129065344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).