[4-[4-[2-[3,5-di(prop-2-enoyloxy)phenoxy]ethoxy]phenyl]phenyl] prop-2-enoate

C29H24O8 — CID 144902457

IUPAC[4-[4-[2-[3,5-di(prop-2-enoyloxy)phenoxy]ethoxy]phenyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccc(OCCOc3cc(OC(=O)C=C)cc(OC(=O)C=C)c3)cc2)cc1
InChIInChI=1S/C29H24O8/c1-4-27(30)35-23-13-9-21(10-14-23)20-7-11-22(12-8-20)33-15-16-34-24-17-25(36-28(31)5-2)19-26(18-24)37-29(32)6-3/h4-14,17-19H,1-3,15-16H2
InChIKeyOOSJAKOHXYUSNM-UHFFFAOYSA-N
MW500.50 g/mol
LogP5.09
Rot. Bonds12

About [4-[4-[2-[3,5-di(prop-2-enoyloxy)phenoxy]ethoxy]phenyl]phenyl] prop-2-enoate

[4-[4-[2-[3,5-di(prop-2-enoyloxy)phenoxy]ethoxy]phenyl]phenyl] prop-2-enoate (PubChem CID 144902457) has the molecular formula C29H24O8 and a molecular weight of 500.50 g/mol. Its IUPAC name is [4-[4-[2-[3,5-di(prop-2-enoyloxy)phenoxy]ethoxy]phenyl]phenyl] prop-2-enoate.

Molecular Properties

Compound Name[4-[4-[2-[3,5-di(prop-2-enoyloxy)phenoxy]ethoxy]phenyl]phenyl] prop-2-enoate
PubChem CID144902457
Molecular FormulaC29H24O8
Molecular Weight500.50 g/mol
Exact Mass500.15
IUPAC Name[4-[4-[2-[3,5-di(prop-2-enoyloxy)phenoxy]ethoxy]phenyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccc(OCCOc3cc(OC(=O)C=C)cc(OC(=O)C=C)c3)cc2)cc1
InChIInChI=1S/C29H24O8/c1-4-27(30)35-23-13-9-21(10-14-23)20-7-11-22(12-8-20)33-15-16-34-24-17-25(36-28(31)5-2)19-26(18-24)37-29(32)6-3/h4-14,17-19H,1-3,15-16H2
InChIKeyOOSJAKOHXYUSNM-UHFFFAOYSA-N
XLogP5.09
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.50
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-octadecoxyphenyl)phenyl] prop-2-enoate
CID 122382243
[4-[3-fluoro-5-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] prop-2-enoate
CID 67472311
3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate
CID 158971258
methane;2-(4-phenylphenoxy)ethyl prop-2-enoate
CID 159356060
2-[4-(4-methoxyphenyl)phenoxy]ethyl prop-2-enoate
CID 59181081
[4-[2-[3,5-di(prop-2-enoyloxy)phenyl]ethyl]phenyl] prop-2-enoate
CID 126633239
(4-hexadecoxyphenyl) prop-2-enoate
CID 141237346
(4-hexoxyphenyl) prop-2-enoate
CID 71357716
[4-[3-[3,5-bis(2-prop-2-enoyloxyethoxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 118907751
[4-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenyl] 3-hydroxypropanoate
CID 168764522
2-[4-(4-carbonochloridoylphenyl)phenoxy]ethyl prop-2-enoate
CID 15789891
[4-[4-(2-prop-2-enoyloxyethoxy)phenyl]phenyl]boronic acid
CID 162702389

Frequently Asked Questions

What is the IUPAC name of [4-[4-[2-[3,5-di(prop-2-enoyloxy)phenoxy]ethoxy]phenyl]phenyl] prop-2-enoate?
The IUPAC name of [4-[4-[2-[3,5-di(prop-2-enoyloxy)phenoxy]ethoxy]phenyl]phenyl] prop-2-enoate (CID 144902457) is [4-[4-[2-[3,5-di(prop-2-enoyloxy)phenoxy]ethoxy]phenyl]phenyl] prop-2-enoate.
What is the SMILES notation for [4-[4-[2-[3,5-di(prop-2-enoyloxy)phenoxy]ethoxy]phenyl]phenyl] prop-2-enoate?
The canonical SMILES for [4-[4-[2-[3,5-di(prop-2-enoyloxy)phenoxy]ethoxy]phenyl]phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(-c2ccc(OCCOc3cc(OC(=O)C=C)cc(OC(=O)C=C)c3)cc2)cc1.
What is the InChIKey of [4-[4-[2-[3,5-di(prop-2-enoyloxy)phenoxy]ethoxy]phenyl]phenyl] prop-2-enoate?
The InChIKey is OOSJAKOHXYUSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24O8/c1-4-27(30)35-23-13-9-21(10-14-23)20-7-11-22(12-8-20)33-15-16-34-24-17-25(36-28(31)5-2)19-26(18-24)37-29(32)6-3/h4-14,17-19H,1-3,15-16H2.
What are the key properties of [4-[4-[2-[3,5-di(prop-2-enoyloxy)phenoxy]ethoxy]phenyl]phenyl] prop-2-enoate?
[4-[4-[2-[3,5-di(prop-2-enoyloxy)phenoxy]ethoxy]phenyl]phenyl] prop-2-enoate has a molecular weight of 500.50 g/mol, XLogP of 5.09, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[2-[3,5-di(prop-2-enoyloxy)phenoxy]ethoxy]phenyl]phenyl] prop-2-enoate is sourced from PubChem (CID 144902457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).