(4-prop-2-enoyloxyphenyl) 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate

C29H20O6 — CID 118282452

IUPAC(4-prop-2-enoyloxyphenyl) 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate
SMILESC=CC(=O)Oc1ccc(OC(=O)c2ccc(-c3ccc4cc(OC(=O)C=C)ccc4c3)cc2)cc1
InChIInChI=1S/C29H20O6/c1-3-27(30)33-24-13-15-25(16-14-24)35-29(32)20-7-5-19(6-8-20)21-9-10-23-18-26(34-28(31)4-2)12-11-22(23)17-21/h3-18H,1-2H2
InChIKeyMIDIISSSLGVJFX-UHFFFAOYSA-N
MW464.47 g/mol
LogP5.91
Rot. Bonds7

About (4-prop-2-enoyloxyphenyl) 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate

(4-prop-2-enoyloxyphenyl) 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate (PubChem CID 118282452) has the molecular formula C29H20O6 and a molecular weight of 464.47 g/mol. Its IUPAC name is (4-prop-2-enoyloxyphenyl) 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate.

Molecular Properties

Compound Name(4-prop-2-enoyloxyphenyl) 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate
PubChem CID118282452
Molecular FormulaC29H20O6
Molecular Weight464.47 g/mol
Exact Mass464.13
IUPAC Name(4-prop-2-enoyloxyphenyl) 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate
SMILESC=CC(=O)Oc1ccc(OC(=O)c2ccc(-c3ccc4cc(OC(=O)C=C)ccc4c3)cc2)cc1
InChIInChI=1S/C29H20O6/c1-3-27(30)33-24-13-15-25(16-14-24)35-29(32)20-7-5-19(6-8-20)21-9-10-23-18-26(34-28(31)4-2)12-11-22(23)17-21/h3-18H,1-2H2
InChIKeyMIDIISSSLGVJFX-UHFFFAOYSA-N
XLogP5.91
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.47
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3,4-di(prop-2-enoyloxy)phenyl] 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate
CID 118283041
[4-(prop-2-enoyloxymethyl)phenyl] 4-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]benzoate
CID 58471477
[4-(prop-2-enoyloxymethyl)phenyl] 4-[4-(prop-2-enoyloxymethyl)phenyl]benzoate
CID 58471422
[6-[4-(prop-2-enoyloxymethyl)phenyl]naphthalen-2-yl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate
CID 58471467
[4-(prop-2-enoyloxymethoxy)phenyl] 6-(4-prop-2-enoxybenzoyl)oxynaphthalene-2-carboxylate
CID 58471406
[4-[4-[4-(prop-2-enoyloxymethoxy)phenyl]benzoyl]oxyphenyl] 4-[4-(prop-2-enoyloxymethoxy)phenyl]benzoate
CID 90051323
[6-(4-hex-5-enoyloxybenzoyl)oxynaphthalen-2-yl] 4-hex-5-enoyloxybenzoate
CID 164792083
[6-(3-ethyl-5-prop-2-enoyloxyphenyl)naphthalen-2-yl] prop-2-enoate
CID 67472291
6-prop-2-enoyloxynaphthalene-2-carboxylic acid;hydrochloride
CID 66781745
[4-[4-(prop-2-enoyloxymethyl)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethyl)benzoate
CID 20718187
methyl 4-prop-2-enoyloxybenzoate
CID 18402609
[4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoate
CID 118547337

Frequently Asked Questions

What is the IUPAC name of (4-prop-2-enoyloxyphenyl) 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate?
The IUPAC name of (4-prop-2-enoyloxyphenyl) 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate (CID 118282452) is (4-prop-2-enoyloxyphenyl) 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate.
What is the SMILES notation for (4-prop-2-enoyloxyphenyl) 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate?
The canonical SMILES for (4-prop-2-enoyloxyphenyl) 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate is C=CC(=O)Oc1ccc(OC(=O)c2ccc(-c3ccc4cc(OC(=O)C=C)ccc4c3)cc2)cc1.
What is the InChIKey of (4-prop-2-enoyloxyphenyl) 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate?
The InChIKey is MIDIISSSLGVJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20O6/c1-3-27(30)33-24-13-15-25(16-14-24)35-29(32)20-7-5-19(6-8-20)21-9-10-23-18-26(34-28(31)4-2)12-11-22(23)17-21/h3-18H,1-2H2.
What are the key properties of (4-prop-2-enoyloxyphenyl) 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate?
(4-prop-2-enoyloxyphenyl) 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate has a molecular weight of 464.47 g/mol, XLogP of 5.91, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-prop-2-enoyloxyphenyl) 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate is sourced from PubChem (CID 118282452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).