[4-(4-ethylcyclohexyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-ethyl-2-methylphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;(4-ethyl-2-methylphenyl) 6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxynaphthalene-2-carboxylate;[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate

C163H148O38 — CID 162006073

IUPAC[4-(4-ethylcyclohexyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-ethyl-2-methylphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;(4-ethyl-2-methylphenyl) 6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxynaphthalene-2-carboxylate;[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate
SMILESC=CC(=O)OCOc1ccc(C(=O)Oc2ccc(/C=C/c3ccc(CC)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(CC)cc3C)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(C3CCC(CC)CC3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CC)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CC)cc3)cc2C)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc3cc(C(=O)Oc4ccc(CC)cc4C)ccc3c2)cc1
InChIInChI=1S/C31H26O7.2C27H24O7.C27H24O5.C26H22O7.C25H28O5/c1-4-21-6-15-28(20(3)16-21)38-31(34)25-8-7-24-18-27(14-11-23(24)17-25)37-30(33)22-9-12-26(13-10-22)35-19-36-29(32)5-2;1-4-19-6-15-24(18(3)16-19)34-27(30)21-9-13-23(14-10-21)33-26(29)20-7-11-22(12-8-20)31-17-32-25(28)5-2;1-4-19-6-8-20(9-7-19)26(29)33-23-14-15-24(18(3)16-23)34-27(30)21-10-12-22(13-11-21)31-17-32-25(28)5-2;1-3-20-5-7-21(8-6-20)9-10-22-11-15-25(16-12-22)32-27(29)23-13-17-24(18-14-23)30-19-31-26(28)4-2;1-3-18-5-7-19(8-6-18)25(28)32-22-13-15-23(16-14-22)33-26(29)20-9-11-21(12-10-20)30-17-31-24(27)4-2;1-3-18-5-7-19(8-6-18)20-9-15-23(16-10-20)30-25(27)21-11-13-22(14-12-21)28-17-29-24(26)4-2/h5-18H,2,4,19H2,1,3H3;2*5-16H,2,4,17H2,1,3H3;4-18H,2-3,19H2,1H3;4-16H,2-3,17H2,1H3;4,9-16,18-19H,2-3,5-8,17H2,1H3/b;;;10-9+;;
InChIKeyYSVUUDIHXDSGRX-DIIQHUHWSA-N
MW2714.94 g/mol
LogP32.45
Rot. Bonds53

About [4-(4-ethylcyclohexyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-ethyl-2-methylphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;(4-ethyl-2-methylphenyl) 6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxynaphthalene-2-carboxylate;[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate

[4-(4-ethylcyclohexyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-ethyl-2-methylphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;(4-ethyl-2-methylphenyl) 6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxynaphthalene-2-carboxylate;[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate (PubChem CID 162006073) has the molecular formula C163H148O38 and a molecular weight of 2714.94 g/mol. Its IUPAC name is [4-(4-ethylcyclohexyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-ethyl-2-methylphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;(4-ethyl-2-methylphenyl) 6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxynaphthalene-2-carboxylate;[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate.

Molecular Properties

Compound Name[4-(4-ethylcyclohexyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-ethyl-2-methylphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;(4-ethyl-2-methylphenyl) 6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxynaphthalene-2-carboxylate;[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate
PubChem CID162006073
Molecular FormulaC163H148O38
Molecular Weight2714.94 g/mol
Exact Mass2712.96
IUPAC Name[4-(4-ethylcyclohexyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-ethyl-2-methylphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;(4-ethyl-2-methylphenyl) 6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxynaphthalene-2-carboxylate;[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate
SMILESC=CC(=O)OCOc1ccc(C(=O)Oc2ccc(/C=C/c3ccc(CC)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(CC)cc3C)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(C3CCC(CC)CC3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CC)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CC)cc3)cc2C)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc3cc(C(=O)Oc4ccc(CC)cc4C)ccc3c2)cc1
InChIInChI=1S/C31H26O7.2C27H24O7.C27H24O5.C26H22O7.C25H28O5/c1-4-21-6-15-28(20(3)16-21)38-31(34)25-8-7-24-18-27(14-11-23(24)17-25)37-30(33)22-9-12-26(13-10-22)35-19-36-29(32)5-2;1-4-19-6-15-24(18(3)16-19)34-27(30)21-9-13-23(14-10-21)33-26(29)20-7-11-22(12-8-20)31-17-32-25(28)5-2;1-4-19-6-8-20(9-7-19)26(29)33-23-14-15-24(18(3)16-23)34-27(30)21-10-12-22(13-11-21)31-17-32-25(28)5-2;1-3-20-5-7-21(8-6-20)9-10-22-11-15-25(16-12-22)32-27(29)23-13-17-24(18-14-23)30-19-31-26(28)4-2;1-3-18-5-7-19(8-6-18)25(28)32-22-13-15-23(16-14-22)33-26(29)20-9-11-21(12-10-20)30-17-31-24(27)4-2;1-3-18-5-7-19(8-6-18)20-9-15-23(16-10-20)30-25(27)21-11-13-22(14-12-21)28-17-29-24(26)4-2/h5-18H,2,4,19H2,1,3H3;2*5-16H,2,4,17H2,1,3H3;4-18H,2-3,19H2,1H3;4-16H,2-3,17H2,1H3;4,9-16,18-19H,2-3,5-8,17H2,1H3/b;;;10-9+;;
InChIKeyYSVUUDIHXDSGRX-DIIQHUHWSA-N
XLogP32.45
TPSA476.18 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds53
Heavy Atoms201
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002714.94
LogP ≤ 532.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze [4-(4-ethylcyclohexyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-ethyl-2-methylphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;(4-ethyl-2-methylphenyl) 6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxynaphthalene-2-carboxylate;[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(4-ethylcyclohexyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-ethyl-2-methylphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;(4-ethyl-2-methylphenyl) 6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxynaphthalene-2-carboxylate;[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate?
The IUPAC name of [4-(4-ethylcyclohexyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-ethyl-2-methylphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;(4-ethyl-2-methylphenyl) 6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxynaphthalene-2-carboxylate;[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate (CID 162006073) is [4-(4-ethylcyclohexyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-ethyl-2-methylphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;(4-ethyl-2-methylphenyl) 6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxynaphthalene-2-carboxylate;[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate.
What is the SMILES notation for [4-(4-ethylcyclohexyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-ethyl-2-methylphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;(4-ethyl-2-methylphenyl) 6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxynaphthalene-2-carboxylate;[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate?
The canonical SMILES for [4-(4-ethylcyclohexyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-ethyl-2-methylphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;(4-ethyl-2-methylphenyl) 6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxynaphthalene-2-carboxylate;[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate is C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(/C=C/c3ccc(CC)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(CC)cc3C)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(C3CCC(CC)CC3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CC)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CC)cc3)cc2C)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc3cc(C(=O)Oc4ccc(CC)cc4C)ccc3c2)cc1.
What is the InChIKey of [4-(4-ethylcyclohexyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-ethyl-2-methylphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;(4-ethyl-2-methylphenyl) 6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxynaphthalene-2-carboxylate;[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate?
The InChIKey is YSVUUDIHXDSGRX-DIIQHUHWSA-N. The full InChI is InChI=1S/C31H26O7.2C27H24O7.C27H24O5.C26H22O7.C25H28O5/c1-4-21-6-15-28(20(3)16-21)38-31(34)25-8-7-24-18-27(14-11-23(24)17-25)37-30(33)22-9-12-26(13-10-22)35-19-36-29(32)5-2;1-4-19-6-15-24(18(3)16-19)34-27(30)21-9-13-23(14-10-21)33-26(29)20-7-11-22(12-8-20)31-17-32-25(28)5-2;1-4-19-6-8-20(9-7-19)26(29)33-23-14-15-24(18(3)16-23)34-27(30)21-10-12-22(13-11-21)31-17-32-25(28)5-2;1-3-20-5-7-21(8-6-20)9-10-22-11-15-25(16-12-22)32-27(29)23-13-17-24(18-14-23)30-19-31-26(28)4-2;1-3-18-5-7-19(8-6-18)25(28)32-22-13-15-23(16-14-22)33-26(29)20-9-11-21(12-10-20)30-17-31-24(27)4-2;1-3-18-5-7-19(8-6-18)20-9-15-23(16-10-20)30-25(27)21-11-13-22(14-12-21)28-17-29-24(26)4-2/h5-18H,2,4,19H2,1,3H3;2*5-16H,2,4,17H2,1,3H3;4-18H,2-3,19H2,1H3;4-16H,2-3,17H2,1H3;4,9-16,18-19H,2-3,5-8,17H2,1H3/b;;;10-9+;;.
What are the key properties of [4-(4-ethylcyclohexyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-ethyl-2-methylphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;(4-ethyl-2-methylphenyl) 6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxynaphthalene-2-carboxylate;[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate?
[4-(4-ethylcyclohexyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-ethyl-2-methylphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;(4-ethyl-2-methylphenyl) 6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxynaphthalene-2-carboxylate;[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate has a molecular weight of 2714.94 g/mol, XLogP of 32.45, 53 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethylcyclohexyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-ethyl-2-methylphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;(4-ethyl-2-methylphenyl) 6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxynaphthalene-2-carboxylate;[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate is sourced from PubChem (CID 162006073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).