3-hydroxy-2-[4-[(E)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[2-methyl-1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)prop-1-enyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[(E)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)cyclopropyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)oxiran-2-yl]phenyl]cyclopent-2-en-1-one

C195H214N4O17 — CID 172951648

IUPAC3-hydroxy-2-[4-[(E)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[2-methyl-1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)prop-1-enyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[(E)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)cyclopropyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)oxiran-2-yl]phenyl]cyclopent-2-en-1-one
SMILESC=C(c1ccc(C2=C(O)CCC2=O)cc1)c1cc2c(cc1C)C(C)(C)C=CC2(C)C.CC(C)=C(c1ccc(C2=C(O)CCC2=O)cc1)c1cc2c(cc1C)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1/C(=N/N)c1ccc(C3=C(O)CCC3=O)cc1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1/C(=N/O)c1ccc(C3=C(O)CCC3=O)cc1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1C(=O)c1ccc(C3=C(O)CCC3=O)cn1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCC4=O)cc3)CC1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCC4=O)cc3)CO1)C(C)(C)C=CC2(C)C
InChIInChI=1S/C30H34O2.C29H32O2.C28H30O3.C28H30O2.C27H30N2O2.C27H29NO3.C26H29NO3/c1-18(2)27(20-8-10-21(11-9-20)28-25(31)12-13-26(28)32)22-17-24-23(16-19(22)3)29(4,5)14-15-30(24,6)7;1-18-16-22-23(28(4,5)13-12-27(22,2)3)17-21(18)29(14-15-29)20-8-6-19(7-9-20)26-24(30)10-11-25(26)31;1-17-14-21-22(27(4,5)13-12-26(21,2)3)15-20(17)28(16-31-28)19-8-6-18(7-9-19)25-23(29)10-11-24(25)30;1-17-15-22-23(28(5,6)14-13-27(22,3)4)16-21(17)18(2)19-7-9-20(10-8-19)26-24(29)11-12-25(26)30;1-16-14-20-21(27(4,5)13-12-26(20,2)3)15-19(16)25(29-28)18-8-6-17(7-9-18)24-22(30)10-11-23(24)31;1-16-14-20-21(27(4,5)13-12-26(20,2)3)15-19(16)25(28-31)18-8-6-17(7-9-18)24-22(29)10-11-23(24)30;1-15-12-18-19(26(4,5)11-10-25(18,2)3)13-17(15)24(30)20-7-6-16(14-27-20)23-21(28)8-9-22(23)29/h8-11,14-17,31H,12-13H2,1-7H3;6-9,12-13,16-17,30H,10-11,14-15H2,1-5H3;6-9,12-15,29H,10-11,16H2,1-5H3;7-10,13-16,29H,2,11-12H2,1,3-6H3;6-9,12-15,30H,10-11,28H2,1-5H3;6-9,12-15,29,31H,10-11H2,1-5H3;6-7,12-14,28H,8-11H2,1-5H3/b;;;;29-25+;28-25+;
InChIKeyZAEOUMLMRMQUNU-OUIUUEHHSA-N
MW2885.87 g/mol
LogP44.31
Rot. Bonds21

About 3-hydroxy-2-[4-[(E)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[2-methyl-1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)prop-1-enyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[(E)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)cyclopropyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)oxiran-2-yl]phenyl]cyclopent-2-en-1-one

3-hydroxy-2-[4-[(E)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[2-methyl-1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)prop-1-enyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[(E)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)cyclopropyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)oxiran-2-yl]phenyl]cyclopent-2-en-1-one (PubChem CID 172951648) has the molecular formula C195H214N4O17 and a molecular weight of 2885.87 g/mol. Its IUPAC name is 3-hydroxy-2-[4-[(E)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[2-methyl-1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)prop-1-enyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[(E)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)cyclopropyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)oxiran-2-yl]phenyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-hydroxy-2-[4-[(E)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[2-methyl-1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)prop-1-enyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[(E)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)cyclopropyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)oxiran-2-yl]phenyl]cyclopent-2-en-1-one
PubChem CID172951648
Molecular FormulaC195H214N4O17
Molecular Weight2885.87 g/mol
Exact Mass2883.60
IUPAC Name3-hydroxy-2-[4-[(E)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[2-methyl-1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)prop-1-enyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[(E)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)cyclopropyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)oxiran-2-yl]phenyl]cyclopent-2-en-1-one
SMILESC=C(c1ccc(C2=C(O)CCC2=O)cc1)c1cc2c(cc1C)C(C)(C)C=CC2(C)C.CC(C)=C(c1ccc(C2=C(O)CCC2=O)cc1)c1cc2c(cc1C)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1/C(=N/N)c1ccc(C3=C(O)CCC3=O)cc1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1/C(=N/O)c1ccc(C3=C(O)CCC3=O)cc1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1C(=O)c1ccc(C3=C(O)CCC3=O)cn1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCC4=O)cc3)CC1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCC4=O)cc3)CO1)C(C)(C)C=CC2(C)C
InChIInChI=1S/C30H34O2.C29H32O2.C28H30O3.C28H30O2.C27H30N2O2.C27H29NO3.C26H29NO3/c1-18(2)27(20-8-10-21(11-9-20)28-25(31)12-13-26(28)32)22-17-24-23(16-19(22)3)29(4,5)14-15-30(24,6)7;1-18-16-22-23(28(4,5)13-12-27(22,2)3)17-21(18)29(14-15-29)20-8-6-19(7-9-20)26-24(30)10-11-25(26)31;1-17-14-21-22(27(4,5)13-12-26(21,2)3)15-20(17)28(16-31-28)19-8-6-18(7-9-19)25-23(29)10-11-24(25)30;1-17-15-22-23(28(5,6)14-13-27(22,3)4)16-21(17)18(2)19-7-9-20(10-8-19)26-24(29)11-12-25(26)30;1-16-14-20-21(27(4,5)13-12-26(20,2)3)15-19(16)25(29-28)18-8-6-17(7-9-18)24-22(30)10-11-23(24)31;1-16-14-20-21(27(4,5)13-12-26(20,2)3)15-19(16)25(28-31)18-8-6-17(7-9-18)24-22(29)10-11-23(24)30;1-15-12-18-19(26(4,5)11-10-25(18,2)3)13-17(15)24(30)20-7-6-16(14-27-20)23-21(28)8-9-22(23)29/h8-11,14-17,31H,12-13H2,1-7H3;6-9,12-13,16-17,30H,10-11,14-15H2,1-5H3;6-9,12-15,29H,10-11,16H2,1-5H3;7-10,13-16,29H,2,11-12H2,1,3-6H3;6-9,12-15,30H,10-11,28H2,1-5H3;6-9,12-15,29,31H,10-11H2,1-5H3;6-7,12-14,28H,8-11H2,1-5H3/b;;;;29-25+;28-25+;
InChIKeyZAEOUMLMRMQUNU-OUIUUEHHSA-N
XLogP44.31
TPSA374.56 Ų
H-Bond Donors9
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms216
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002885.87
LogP ≤ 544.31
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-hydroxy-2-[4-[(E)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[2-methyl-1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)prop-1-enyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[(E)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)cyclopropyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)oxiran-2-yl]phenyl]cyclopent-2-en-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[4-[(E)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[2-methyl-1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)prop-1-enyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[(E)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)cyclopropyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)oxiran-2-yl]phenyl]cyclopent-2-en-1-one?
The IUPAC name of 3-hydroxy-2-[4-[(E)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[2-methyl-1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)prop-1-enyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[(E)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)cyclopropyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)oxiran-2-yl]phenyl]cyclopent-2-en-1-one (CID 172951648) is 3-hydroxy-2-[4-[(E)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[2-methyl-1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)prop-1-enyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[(E)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)cyclopropyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)oxiran-2-yl]phenyl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-hydroxy-2-[4-[(E)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[2-methyl-1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)prop-1-enyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[(E)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)cyclopropyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)oxiran-2-yl]phenyl]cyclopent-2-en-1-one?
The canonical SMILES for 3-hydroxy-2-[4-[(E)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[2-methyl-1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)prop-1-enyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[(E)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)cyclopropyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)oxiran-2-yl]phenyl]cyclopent-2-en-1-one is C=C(c1ccc(C2=C(O)CCC2=O)cc1)c1cc2c(cc1C)C(C)(C)C=CC2(C)C.CC(C)=C(c1ccc(C2=C(O)CCC2=O)cc1)c1cc2c(cc1C)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1/C(=N/N)c1ccc(C3=C(O)CCC3=O)cc1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1/C(=N/O)c1ccc(C3=C(O)CCC3=O)cc1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1C(=O)c1ccc(C3=C(O)CCC3=O)cn1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCC4=O)cc3)CC1)C(C)(C)C=CC2(C)C.Cc1cc2c(cc1C1(c3ccc(C4=C(O)CCC4=O)cc3)CO1)C(C)(C)C=CC2(C)C.
What is the InChIKey of 3-hydroxy-2-[4-[(E)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[2-methyl-1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)prop-1-enyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[(E)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)cyclopropyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)oxiran-2-yl]phenyl]cyclopent-2-en-1-one?
The InChIKey is ZAEOUMLMRMQUNU-OUIUUEHHSA-N. The full InChI is InChI=1S/C30H34O2.C29H32O2.C28H30O3.C28H30O2.C27H30N2O2.C27H29NO3.C26H29NO3/c1-18(2)27(20-8-10-21(11-9-20)28-25(31)12-13-26(28)32)22-17-24-23(16-19(22)3)29(4,5)14-15-30(24,6)7;1-18-16-22-23(28(4,5)13-12-27(22,2)3)17-21(18)29(14-15-29)20-8-6-19(7-9-20)26-24(30)10-11-25(26)31;1-17-14-21-22(27(4,5)13-12-26(21,2)3)15-20(17)28(16-31-28)19-8-6-18(7-9-19)25-23(29)10-11-24(25)30;1-17-15-22-23(28(5,6)14-13-27(22,3)4)16-21(17)18(2)19-7-9-20(10-8-19)26-24(29)11-12-25(26)30;1-16-14-20-21(27(4,5)13-12-26(20,2)3)15-19(16)25(29-28)18-8-6-17(7-9-18)24-22(30)10-11-23(24)31;1-16-14-20-21(27(4,5)13-12-26(20,2)3)15-19(16)25(28-31)18-8-6-17(7-9-18)24-22(29)10-11-23(24)30;1-15-12-18-19(26(4,5)11-10-25(18,2)3)13-17(15)24(30)20-7-6-16(14-27-20)23-21(28)8-9-22(23)29/h8-11,14-17,31H,12-13H2,1-7H3;6-9,12-13,16-17,30H,10-11,14-15H2,1-5H3;6-9,12-15,29H,10-11,16H2,1-5H3;7-10,13-16,29H,2,11-12H2,1,3-6H3;6-9,12-15,30H,10-11,28H2,1-5H3;6-9,12-15,29,31H,10-11H2,1-5H3;6-7,12-14,28H,8-11H2,1-5H3/b;;;;29-25+;28-25+;.
What are the key properties of 3-hydroxy-2-[4-[(E)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[2-methyl-1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)prop-1-enyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[(E)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)cyclopropyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)oxiran-2-yl]phenyl]cyclopent-2-en-1-one?
3-hydroxy-2-[4-[(E)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[2-methyl-1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)prop-1-enyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[(E)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)cyclopropyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)oxiran-2-yl]phenyl]cyclopent-2-en-1-one has a molecular weight of 2885.87 g/mol, XLogP of 44.31, 21 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[4-[(E)-N-hydroxy-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonimidoyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[2-methyl-1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)prop-1-enyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)-3-pyridinyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[(E)-C-(3,5,5,8,8-pentamethylnaphthalen-2-yl)carbonohydrazonoyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)cyclopropyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]phenyl]cyclopent-2-en-1-one;3-hydroxy-2-[4-[2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)oxiran-2-yl]phenyl]cyclopent-2-en-1-one is sourced from PubChem (CID 172951648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).