(4-cyanophenyl) 4-ethenylbenzoate;(4-methoxyphenyl) 4-ethenylbenzoate;[4-(prop-2-enylperoxymethoxy)phenyl] 4-(4-ethenylbenzoyl)oxy-2-methylbenzoate;[4-(4-propylcyclohexyl)phenyl] 4-ethenylbenzoate

C83H77NO14 — CID 160609192

IUPAC(4-cyanophenyl) 4-ethenylbenzoate;(4-methoxyphenyl) 4-ethenylbenzoate;[4-(prop-2-enylperoxymethoxy)phenyl] 4-(4-ethenylbenzoyl)oxy-2-methylbenzoate;[4-(4-propylcyclohexyl)phenyl] 4-ethenylbenzoate
SMILESC=CCOOCOc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(C=C)cc3)cc2C)cc1.C=Cc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1.C=Cc1ccc(C(=O)Oc2ccc(C3CCC(CCC)CC3)cc2)cc1.C=Cc1ccc(C(=O)Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C27H24O7.C24H28O2.C16H11NO2.C16H14O3/c1-4-16-31-32-18-30-22-10-12-23(13-11-22)33-27(29)25-15-14-24(17-19(25)3)34-26(28)21-8-6-20(5-2)7-9-21;1-3-5-19-8-10-20(11-9-19)21-14-16-23(17-15-21)26-24(25)22-12-6-18(4-2)7-13-22;1-2-12-3-7-14(8-4-12)16(18)19-15-9-5-13(11-17)6-10-15;1-3-12-4-6-13(7-5-12)16(17)19-15-10-8-14(18-2)9-11-15/h4-15,17H,1-2,16,18H2,3H3;4,6-7,12-17,19-20H,2-3,5,8-11H2,1H3;2-10H,1H2;3-11H,1H2,2H3
InChIKeyRFGXYQGWLGDYQM-UHFFFAOYSA-N
MW1312.52 g/mol
LogP19.15
Rot. Bonds24

About (4-cyanophenyl) 4-ethenylbenzoate;(4-methoxyphenyl) 4-ethenylbenzoate;[4-(prop-2-enylperoxymethoxy)phenyl] 4-(4-ethenylbenzoyl)oxy-2-methylbenzoate;[4-(4-propylcyclohexyl)phenyl] 4-ethenylbenzoate

(4-cyanophenyl) 4-ethenylbenzoate;(4-methoxyphenyl) 4-ethenylbenzoate;[4-(prop-2-enylperoxymethoxy)phenyl] 4-(4-ethenylbenzoyl)oxy-2-methylbenzoate;[4-(4-propylcyclohexyl)phenyl] 4-ethenylbenzoate (PubChem CID 160609192) has the molecular formula C83H77NO14 and a molecular weight of 1312.52 g/mol. Its IUPAC name is (4-cyanophenyl) 4-ethenylbenzoate;(4-methoxyphenyl) 4-ethenylbenzoate;[4-(prop-2-enylperoxymethoxy)phenyl] 4-(4-ethenylbenzoyl)oxy-2-methylbenzoate;[4-(4-propylcyclohexyl)phenyl] 4-ethenylbenzoate.

Molecular Properties

Compound Name(4-cyanophenyl) 4-ethenylbenzoate;(4-methoxyphenyl) 4-ethenylbenzoate;[4-(prop-2-enylperoxymethoxy)phenyl] 4-(4-ethenylbenzoyl)oxy-2-methylbenzoate;[4-(4-propylcyclohexyl)phenyl] 4-ethenylbenzoate
PubChem CID160609192
Molecular FormulaC83H77NO14
Molecular Weight1312.52 g/mol
Exact Mass1311.53
IUPAC Name(4-cyanophenyl) 4-ethenylbenzoate;(4-methoxyphenyl) 4-ethenylbenzoate;[4-(prop-2-enylperoxymethoxy)phenyl] 4-(4-ethenylbenzoyl)oxy-2-methylbenzoate;[4-(4-propylcyclohexyl)phenyl] 4-ethenylbenzoate
SMILESC=CCOOCOc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(C=C)cc3)cc2C)cc1.C=Cc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1.C=Cc1ccc(C(=O)Oc2ccc(C3CCC(CCC)CC3)cc2)cc1.C=Cc1ccc(C(=O)Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C27H24O7.C24H28O2.C16H11NO2.C16H14O3/c1-4-16-31-32-18-30-22-10-12-23(13-11-22)33-27(29)25-15-14-24(17-19(25)3)34-26(28)21-8-6-20(5-2)7-9-21;1-3-5-19-8-10-20(11-9-19)21-14-16-23(17-15-21)26-24(25)22-12-6-18(4-2)7-13-22;1-2-12-3-7-14(8-4-12)16(18)19-15-9-5-13(11-17)6-10-15;1-3-12-4-6-13(7-5-12)16(17)19-15-10-8-14(18-2)9-11-15/h4-15,17H,1-2,16,18H2,3H3;4,6-7,12-17,19-20H,2-3,5,8-11H2,1H3;2-10H,1H2;3-11H,1H2,2H3
InChIKeyRFGXYQGWLGDYQM-UHFFFAOYSA-N
XLogP19.15
TPSA192.21 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds24
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001312.52
LogP ≤ 519.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze (4-cyanophenyl) 4-ethenylbenzoate;(4-methoxyphenyl) 4-ethenylbenzoate;[4-(prop-2-enylperoxymethoxy)phenyl] 4-(4-ethenylbenzoyl)oxy-2-methylbenzoate;[4-(4-propylcyclohexyl)phenyl] 4-ethenylbenzoate with MolForge

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Related Compounds

(4-cyanophenyl) 4-[(1R,3R)-3-propylcyclopentyl]benzoate
CID 6999152
[4-(4-cyanophenyl)phenoxy]methyl prop-2-enoate;[4-(4-cyanophenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;(4-cyanophenyl) 4-(prop-2-enoyloxymethoxy)benzoate;[4-(3,4-difluorophenyl)phenoxy]methyl prop-2-enoate;[4-(4-hexoxyphenyl)phenoxy]methyl prop-2-enoate;(4-methoxyphenyl) 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-pentylcyclohexyl)phenoxy]methyl prop-2-enoate;[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl prop-2-enoate;[4-(trifluoromethoxy)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate
CID 159056807
(4-cyanophenyl) 4-(4-heptylcyclohexyl)benzoate
CID 20544641
(4-prop-2-enoylphenyl) 4-(4-propylcyclohexyl)benzoate
CID 59695720
[4-(4-pentylcyclohexyl)phenyl] 4-prop-2-enoxybenzoate
CID 71345427
(3-cyanophenyl) 4-[4-(4-propylcyclohexyl)cyclohexyl]benzoate
CID 70522820
[4-(4-propylcyclohexyl)phenyl] 4-methylbenzoate
CID 3093775
[4-(4-propylcyclohexyl)phenyl] 4-[2-(2-oxobut-3-enoxy)ethoxy]benzoate
CID 134235754
(4-cyanophenyl) 4-(4-methylcyclohexyl)benzoate
CID 20640863
[4-(4-propylcyclohexyl)phenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate
CID 20645975
(4-cyanophenyl) 4-(6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)benzoate
CID 22384978
[4-(2,2-dicyanoethenyl)phenyl] 2-chloro-4-[4-(4-pentylcyclohexyl)benzoyl]oxybenzoate
CID 88640787

Frequently Asked Questions

What is the IUPAC name of (4-cyanophenyl) 4-ethenylbenzoate;(4-methoxyphenyl) 4-ethenylbenzoate;[4-(prop-2-enylperoxymethoxy)phenyl] 4-(4-ethenylbenzoyl)oxy-2-methylbenzoate;[4-(4-propylcyclohexyl)phenyl] 4-ethenylbenzoate?
The IUPAC name of (4-cyanophenyl) 4-ethenylbenzoate;(4-methoxyphenyl) 4-ethenylbenzoate;[4-(prop-2-enylperoxymethoxy)phenyl] 4-(4-ethenylbenzoyl)oxy-2-methylbenzoate;[4-(4-propylcyclohexyl)phenyl] 4-ethenylbenzoate (CID 160609192) is (4-cyanophenyl) 4-ethenylbenzoate;(4-methoxyphenyl) 4-ethenylbenzoate;[4-(prop-2-enylperoxymethoxy)phenyl] 4-(4-ethenylbenzoyl)oxy-2-methylbenzoate;[4-(4-propylcyclohexyl)phenyl] 4-ethenylbenzoate.
What is the SMILES notation for (4-cyanophenyl) 4-ethenylbenzoate;(4-methoxyphenyl) 4-ethenylbenzoate;[4-(prop-2-enylperoxymethoxy)phenyl] 4-(4-ethenylbenzoyl)oxy-2-methylbenzoate;[4-(4-propylcyclohexyl)phenyl] 4-ethenylbenzoate?
The canonical SMILES for (4-cyanophenyl) 4-ethenylbenzoate;(4-methoxyphenyl) 4-ethenylbenzoate;[4-(prop-2-enylperoxymethoxy)phenyl] 4-(4-ethenylbenzoyl)oxy-2-methylbenzoate;[4-(4-propylcyclohexyl)phenyl] 4-ethenylbenzoate is C=CCOOCOc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(C=C)cc3)cc2C)cc1.C=Cc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1.C=Cc1ccc(C(=O)Oc2ccc(C3CCC(CCC)CC3)cc2)cc1.C=Cc1ccc(C(=O)Oc2ccc(OC)cc2)cc1.
What is the InChIKey of (4-cyanophenyl) 4-ethenylbenzoate;(4-methoxyphenyl) 4-ethenylbenzoate;[4-(prop-2-enylperoxymethoxy)phenyl] 4-(4-ethenylbenzoyl)oxy-2-methylbenzoate;[4-(4-propylcyclohexyl)phenyl] 4-ethenylbenzoate?
The InChIKey is RFGXYQGWLGDYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O7.C24H28O2.C16H11NO2.C16H14O3/c1-4-16-31-32-18-30-22-10-12-23(13-11-22)33-27(29)25-15-14-24(17-19(25)3)34-26(28)21-8-6-20(5-2)7-9-21;1-3-5-19-8-10-20(11-9-19)21-14-16-23(17-15-21)26-24(25)22-12-6-18(4-2)7-13-22;1-2-12-3-7-14(8-4-12)16(18)19-15-9-5-13(11-17)6-10-15;1-3-12-4-6-13(7-5-12)16(17)19-15-10-8-14(18-2)9-11-15/h4-15,17H,1-2,16,18H2,3H3;4,6-7,12-17,19-20H,2-3,5,8-11H2,1H3;2-10H,1H2;3-11H,1H2,2H3.
What are the key properties of (4-cyanophenyl) 4-ethenylbenzoate;(4-methoxyphenyl) 4-ethenylbenzoate;[4-(prop-2-enylperoxymethoxy)phenyl] 4-(4-ethenylbenzoyl)oxy-2-methylbenzoate;[4-(4-propylcyclohexyl)phenyl] 4-ethenylbenzoate?
(4-cyanophenyl) 4-ethenylbenzoate;(4-methoxyphenyl) 4-ethenylbenzoate;[4-(prop-2-enylperoxymethoxy)phenyl] 4-(4-ethenylbenzoyl)oxy-2-methylbenzoate;[4-(4-propylcyclohexyl)phenyl] 4-ethenylbenzoate has a molecular weight of 1312.52 g/mol, XLogP of 19.15, 24 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanophenyl) 4-ethenylbenzoate;(4-methoxyphenyl) 4-ethenylbenzoate;[4-(prop-2-enylperoxymethoxy)phenyl] 4-(4-ethenylbenzoyl)oxy-2-methylbenzoate;[4-(4-propylcyclohexyl)phenyl] 4-ethenylbenzoate is sourced from PubChem (CID 160609192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).