[3,4-di(prop-2-enoyloxy)phenyl] 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate

C32H22O8 — CID 118283041

IUPAC[3,4-di(prop-2-enoyloxy)phenyl] 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate
SMILESC=CC(=O)Oc1ccc2cc(-c3ccc(C(=O)Oc4ccc(OC(=O)C=C)c(OC(=O)C=C)c4)cc3)ccc2c1
InChIInChI=1S/C32H22O8/c1-4-29(33)37-25-14-13-23-17-22(11-12-24(23)18-25)20-7-9-21(10-8-20)32(36)38-26-15-16-27(39-30(34)5-2)28(19-26)40-31(35)6-3/h4-19H,1-3H2
InChIKeyQXIJCJMLKJOEOD-UHFFFAOYSA-N
MW534.52 g/mol
LogP6.00
Rot. Bonds9

About [3,4-di(prop-2-enoyloxy)phenyl] 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate

[3,4-di(prop-2-enoyloxy)phenyl] 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate (PubChem CID 118283041) has the molecular formula C32H22O8 and a molecular weight of 534.52 g/mol. Its IUPAC name is [3,4-di(prop-2-enoyloxy)phenyl] 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate.

Molecular Properties

Compound Name[3,4-di(prop-2-enoyloxy)phenyl] 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate
PubChem CID118283041
Molecular FormulaC32H22O8
Molecular Weight534.52 g/mol
Exact Mass534.13
IUPAC Name[3,4-di(prop-2-enoyloxy)phenyl] 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate
SMILESC=CC(=O)Oc1ccc2cc(-c3ccc(C(=O)Oc4ccc(OC(=O)C=C)c(OC(=O)C=C)c4)cc3)ccc2c1
InChIInChI=1S/C32H22O8/c1-4-29(33)37-25-14-13-23-17-22(11-12-24(23)18-25)20-7-9-21(10-8-20)32(36)38-26-15-16-27(39-30(34)5-2)28(19-26)40-31(35)6-3/h4-19H,1-3H2
InChIKeyQXIJCJMLKJOEOD-UHFFFAOYSA-N
XLogP6.00
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.52
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

(4-prop-2-enoyloxyphenyl) 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate
CID 118282452
[4-(4-buta-1,3-dien-2-yloxy-3-prop-2-enoyloxybenzoyl)oxyphenyl] 4-buta-1,3-dien-2-yloxy-3-prop-2-enoyloxybenzoate
CID 122424902
[4-(prop-2-enoyloxymethyl)phenyl] 4-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]benzoate
CID 58471477
[4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 3,4-di(prop-2-enoyloxy)benzoate
CID 59181112
[3,4-bis[[4-(10-prop-2-enoyloxydecoxy)benzoyl]oxy]phenyl] 4-(10-prop-2-enoyloxydecoxy)benzoate
CID 23355747
[2-methanimidoyl-4-(4-prop-2-enoyloxybenzoyl)oxyphenyl] 3,4-di(prop-2-enoyloxy)benzoate
CID 122419007
[3,4-di(prop-2-enoyloxy)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]-2-methylbut-2-enoate
CID 123868108
[6-[4-(prop-2-enoyloxymethyl)phenyl]naphthalen-2-yl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate
CID 58471467
[4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 67892187
[4-(prop-2-enoyloxymethyl)phenyl] 4-[4-(prop-2-enoyloxymethyl)phenyl]benzoate
CID 58471422
[6,8-di(prop-2-enoyloxy)naphthalen-2-yl] prop-2-enoate
CID 163762483
[3-methoxy-4-[6-(prop-2-enoyloxymethoxy)naphthalene-2-carbonyl]oxyphenyl] 6-(prop-2-enoyloxymethoxy)naphthalene-2-carboxylate
CID 59181128

Frequently Asked Questions

What is the IUPAC name of [3,4-di(prop-2-enoyloxy)phenyl] 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate?
The IUPAC name of [3,4-di(prop-2-enoyloxy)phenyl] 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate (CID 118283041) is [3,4-di(prop-2-enoyloxy)phenyl] 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate.
What is the SMILES notation for [3,4-di(prop-2-enoyloxy)phenyl] 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate?
The canonical SMILES for [3,4-di(prop-2-enoyloxy)phenyl] 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate is C=CC(=O)Oc1ccc2cc(-c3ccc(C(=O)Oc4ccc(OC(=O)C=C)c(OC(=O)C=C)c4)cc3)ccc2c1.
What is the InChIKey of [3,4-di(prop-2-enoyloxy)phenyl] 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate?
The InChIKey is QXIJCJMLKJOEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22O8/c1-4-29(33)37-25-14-13-23-17-22(11-12-24(23)18-25)20-7-9-21(10-8-20)32(36)38-26-15-16-27(39-30(34)5-2)28(19-26)40-31(35)6-3/h4-19H,1-3H2.
What are the key properties of [3,4-di(prop-2-enoyloxy)phenyl] 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate?
[3,4-di(prop-2-enoyloxy)phenyl] 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate has a molecular weight of 534.52 g/mol, XLogP of 6.00, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-di(prop-2-enoyloxy)phenyl] 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate is sourced from PubChem (CID 118283041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).