3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate

C30H30O6 — CID 158971258

IUPAC3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate
SMILESC=CC(=O)OCCCOc1ccc(-c2ccc(-c3ccc(OCCCOC(=O)C=C)cc3)cc2)cc1
InChIInChI=1S/C30H30O6/c1-3-29(31)35-21-5-19-33-27-15-11-25(12-16-27)23-7-9-24(10-8-23)26-13-17-28(18-14-26)34-20-6-22-36-30(32)4-2/h3-4,7-18H,1-2,5-6,19-22H2
InChIKeyIAROZHOBLUTTBF-UHFFFAOYSA-N
MW486.56 g/mol
LogP6.02
Rot. Bonds14

About 3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate

3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate (PubChem CID 158971258) has the molecular formula C30H30O6 and a molecular weight of 486.56 g/mol. Its IUPAC name is 3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate
PubChem CID158971258
Molecular FormulaC30H30O6
Molecular Weight486.56 g/mol
Exact Mass486.20
IUPAC Name3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate
SMILESC=CC(=O)OCCCOc1ccc(-c2ccc(-c3ccc(OCCCOC(=O)C=C)cc3)cc2)cc1
InChIInChI=1S/C30H30O6/c1-3-29(31)35-21-5-19-33-27-15-11-25(12-16-27)23-7-9-24(10-8-23)26-13-17-28(18-14-26)34-20-6-22-36-30(32)4-2/h3-4,7-18H,1-2,5-6,19-22H2
InChIKeyIAROZHOBLUTTBF-UHFFFAOYSA-N
XLogP6.02
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.56
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(4-hydroxyphenyl)phenoxy]propyl prop-2-enoate
CID 144554090
[4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoate
CID 118547337
8-[4-(4-cyanophenyl)phenoxy]octyl prop-2-enoate
CID 67732032
8-[4-(3,5-difluorophenyl)phenoxy]octyl prop-2-enoate
CID 134446776
7-[4-(4-cyanophenyl)phenoxy]heptyl prop-2-enoate
CID 67732052
6-[4-(4-acetylphenyl)phenoxy]hexyl prop-2-enoate
CID 20588637
4-(4-hydroxyphenoxy)butyl prop-2-enoate
CID 20566713
methyl 4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoate
CID 58785395
methane;2-(4-phenylphenoxy)ethyl prop-2-enoate
CID 159356060
2-[4-(4-methoxyphenyl)phenoxy]ethyl prop-2-enoate
CID 59181081
6-[4-[2,3-difluoro-4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]phenyl]phenoxy]hexyl prop-2-enoate
CID 20586877
11-[4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxy]phenyl]phenyl]phenoxy]undecyl prop-2-enoate
CID 20734011

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate?
The IUPAC name of 3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate (CID 158971258) is 3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate.
What is the SMILES notation for 3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate?
The canonical SMILES for 3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate is C=CC(=O)OCCCOc1ccc(-c2ccc(-c3ccc(OCCCOC(=O)C=C)cc3)cc2)cc1.
What is the InChIKey of 3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate?
The InChIKey is IAROZHOBLUTTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O6/c1-3-29(31)35-21-5-19-33-27-15-11-25(12-16-27)23-7-9-24(10-8-23)26-13-17-28(18-14-26)34-20-6-22-36-30(32)4-2/h3-4,7-18H,1-2,5-6,19-22H2.
What are the key properties of 3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate?
3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate has a molecular weight of 486.56 g/mol, XLogP of 6.02, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate is sourced from PubChem (CID 158971258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).