2-[2-(4-chloro-2-methylphenyl)cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;2-[2-(4-chlorophenyl)cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;2-[2-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-3,5-dihydroxy-4,6,6-tripropylcyclohexa-2,4-dien-1-one;2-[2-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;3,5-dihydroxy-4,6,6-trimethyl-2-[2-[4-methyl-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]cyclohexa-2,4-dien-1-one;2-[2-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-3,5-dihydroxy-4,6,6-trimethylcyclohexa-2,4-dien-1-one

C141H149Cl4F13O25 — CID 159814825

About 2-[2-(4-chloro-2-methylphenyl)cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;2-[2-(4-chlorophenyl)cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;2-[2-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-3,5-dihydroxy-4,6,6-tripropylcyclohexa-2,4-dien-1-one;2-[2-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;3,5-dihydroxy-4,6,6-trimethyl-2-[2-[4-methyl-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]cyclohexa-2,4-dien-1-one;2-[2-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-3,5-dihydroxy-4,6,6-trimethylcyclohexa-2,4-dien-1-one

2-[2-(4-chloro-2-methylphenyl)cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;2-[2-(4-chlorophenyl)cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;2-[2-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-3,5-dihydroxy-4,6,6-tripropylcyclohexa-2,4-dien-1-one;2-[2-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;3,5-dihydroxy-4,6,6-trimethyl-2-[2-[4-methyl-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]cyclohexa-2,4-dien-1-one;2-[2-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-3,5-dihydroxy-4,6,6-trimethylcyclohexa-2,4-dien-1-one (PubChem CID 159814825) has the molecular formula C141H149Cl4F13O25 and a molecular weight of 2632.50 g/mol. Its IUPAC name is 2-[2-(4-chloro-2-methylphenyl)cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;2-[2-(4-chlorophenyl)cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;2-[2-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-3,5-dihydroxy-4,6,6-tripropylcyclohexa-2,4-dien-1-one;2-[2-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;3,5-dihydroxy-4,6,6-trimethyl-2-[2-[4-methyl-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]cyclohexa-2,4-dien-1-one;2-[2-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-3,5-dihydroxy-4,6,6-trimethylcyclohexa-2,4-dien-1-one.

Molecular Properties

• Compound Name: 2-[2-(4-chloro-2-methylphenyl)cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;2-[2-(4-chlorophenyl)cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;2-[2-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-3,5-dihydroxy-4,6,6-tripropylcyclohexa-2,4-dien-1-one;2-[2-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;3,5-dihydroxy-4,6,6-trimethyl-2-[2-[4-methyl-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]cyclohexa-2,4-dien-1-one;2-[2-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-3,5-dihydroxy-4,6,6-trimethylcyclohexa-2,4-dien-1-one
• PubChem CID: 159814825
• Molecular Formula: C141H149Cl4F13O25
• Molecular Weight: 2632.50 g/mol
• Exact Mass: 2628.89
• IUPAC Name: 2-[2-(4-chloro-2-methylphenyl)cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;2-[2-(4-chlorophenyl)cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;2-[2-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-3,5-dihydroxy-4,6,6-tripropylcyclohexa-2,4-dien-1-one;2-[2-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;3,5-dihydroxy-4,6,6-trimethyl-2-[2-[4-methyl-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]cyclohexa-2,4-dien-1-one;2-[2-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-3,5-dihydroxy-4,6,6-trimethylcyclohexa-2,4-dien-1-one
• SMILES: CC1=C(O)C(C)(C)C(=O)C(C(=O)C2CC2c2ccc(C)cc2C(F)(F)F)=C1O.CC1=C(O)C(C)(C)C(=O)C(C(=O)C2CC2c2ccc(Oc3ccc(F)cc3)cc2C(F)(F)F)=C1O.CCC1=C(O)C(CC)(CC)C(=O)C(C(=O)C2CC2c2ccc(Cl)cc2)=C1O.CCC1=C(O)C(CC)(CC)C(=O)C(C(=O)C2CC2c2ccc(Cl)cc2C(F)(F)F)=C1O.CCC1=C(O)C(CC)(CC)C(=O)C(C(=O)C2CC2c2ccc(Cl)cc2C)=C1O.CCCC1=C(O)C(CCC)(CCC)C(=O)C(C(=O)C2CC2c2ccc(Cl)cc2C(F)(F)F)=C1O
• InChI: InChI=1S/C26H30ClF3O4.C26H22F4O5.C23H24ClF3O4.C23H27ClO4.C22H25ClO4.C21H21F3O4/c1-4-7-16-21(31)20(24(34)25(10-5-2,11-6-3)23(16)33)22(32)18-13-17(18)15-9-8-14(27)12-19(15)26(28,29)30;1-12-21(31)20(24(34)25(2,3)23(12)33)22(32)18-11-17(18)16-9-8-15(10-19(16)26(28,29)30)35-14-6-4-13(27)5-7-14;1-4-12-18(28)17(21(31)22(5-2,6-3)20(12)30)19(29)15-10-14(15)13-8-7-11(24)9-16(13)23(25,26)27;1-5-14-19(25)18(22(28)23(6-2,7-3)21(14)27)20(26)17-11-16(17)15-9-8-13(24)10-12(15)4;1-4-14-18(24)17(21(27)22(5-2,6-3)20(14)26)19(25)16-11-15(16)12-7-9-13(23)10-8-12;1-9-5-6-11(14(7-9)21(22,23)24)12-8-13(12)17(26)15-16(25)10(2)18(27)20(3,4)19(15)28/h8-9,12,17-18,31,33H,4-7,10-11,13H2,1-3H3;4-10,17-18,31,33H,11H2,1-3H3;7-9,14-15,28,30H,4-6,10H2,1-3H3;8-10,16-17,25,27H,5-7,11H2,1-4H3;7-10,15-16,24,26H,4-6,11H2,1-3H3;5-7,12-13,25,27H,8H2,1-4H3
• InChIKey: NLMFLXBUNFMQPQ-UHFFFAOYSA-N
• XLogP: 36.76
• TPSA: 456.83 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 25
• Rotatable Bonds: 35
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2632.50
LogP ≤ 5	36.76
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-2-methylphenyl)cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;2-[2-(4-chlorophenyl)cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;2-[2-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-3,5-dihydroxy-4,6,6-tripropylcyclohexa-2,4-dien-1-one;2-[2-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;3,5-dihydroxy-4,6,6-trimethyl-2-[2-[4-methyl-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]cyclohexa-2,4-dien-1-one;2-[2-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-3,5-dihydroxy-4,6,6-trimethylcyclohexa-2,4-dien-1-one?

The IUPAC name of 2-[2-(4-chloro-2-methylphenyl)cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;2-[2-(4-chlorophenyl)cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;2-[2-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-3,5-dihydroxy-4,6,6-tripropylcyclohexa-2,4-dien-1-one;2-[2-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;3,5-dihydroxy-4,6,6-trimethyl-2-[2-[4-methyl-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]cyclohexa-2,4-dien-1-one;2-[2-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-3,5-dihydroxy-4,6,6-trimethylcyclohexa-2,4-dien-1-one (CID 159814825) is 2-[2-(4-chloro-2-methylphenyl)cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;2-[2-(4-chlorophenyl)cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;2-[2-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-3,5-dihydroxy-4,6,6-tripropylcyclohexa-2,4-dien-1-one;2-[2-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;3,5-dihydroxy-4,6,6-trimethyl-2-[2-[4-methyl-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]cyclohexa-2,4-dien-1-one;2-[2-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-3,5-dihydroxy-4,6,6-trimethylcyclohexa-2,4-dien-1-one.

What is the SMILES notation for 2-[2-(4-chloro-2-methylphenyl)cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;2-[2-(4-chlorophenyl)cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;2-[2-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-3,5-dihydroxy-4,6,6-tripropylcyclohexa-2,4-dien-1-one;2-[2-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;3,5-dihydroxy-4,6,6-trimethyl-2-[2-[4-methyl-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]cyclohexa-2,4-dien-1-one;2-[2-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-3,5-dihydroxy-4,6,6-trimethylcyclohexa-2,4-dien-1-one?

The canonical SMILES for 2-[2-(4-chloro-2-methylphenyl)cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;2-[2-(4-chlorophenyl)cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;2-[2-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-3,5-dihydroxy-4,6,6-tripropylcyclohexa-2,4-dien-1-one;2-[2-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;3,5-dihydroxy-4,6,6-trimethyl-2-[2-[4-methyl-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]cyclohexa-2,4-dien-1-one;2-[2-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-3,5-dihydroxy-4,6,6-trimethylcyclohexa-2,4-dien-1-one is CC1=C(O)C(C)(C)C(=O)C(C(=O)C2CC2c2ccc(C)cc2C(F)(F)F)=C1O.CC1=C(O)C(C)(C)C(=O)C(C(=O)C2CC2c2ccc(Oc3ccc(F)cc3)cc2C(F)(F)F)=C1O.CCC1=C(O)C(CC)(CC)C(=O)C(C(=O)C2CC2c2ccc(Cl)cc2)=C1O.CCC1=C(O)C(CC)(CC)C(=O)C(C(=O)C2CC2c2ccc(Cl)cc2C(F)(F)F)=C1O.CCC1=C(O)C(CC)(CC)C(=O)C(C(=O)C2CC2c2ccc(Cl)cc2C)=C1O.CCCC1=C(O)C(CCC)(CCC)C(=O)C(C(=O)C2CC2c2ccc(Cl)cc2C(F)(F)F)=C1O.

What is the InChIKey of 2-[2-(4-chloro-2-methylphenyl)cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;2-[2-(4-chlorophenyl)cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;2-[2-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-3,5-dihydroxy-4,6,6-tripropylcyclohexa-2,4-dien-1-one;2-[2-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;3,5-dihydroxy-4,6,6-trimethyl-2-[2-[4-methyl-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]cyclohexa-2,4-dien-1-one;2-[2-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-3,5-dihydroxy-4,6,6-trimethylcyclohexa-2,4-dien-1-one?

The InChIKey is NLMFLXBUNFMQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClF3O4.C26H22F4O5.C23H24ClF3O4.C23H27ClO4.C22H25ClO4.C21H21F3O4/c1-4-7-16-21(31)20(24(34)25(10-5-2,11-6-3)23(16)33)22(32)18-13-17(18)15-9-8-14(27)12-19(15)26(28,29)30;1-12-21(31)20(24(34)25(2,3)23(12)33)22(32)18-11-17(18)16-9-8-15(10-19(16)26(28,29)30)35-14-6-4-13(27)5-7-14;1-4-12-18(28)17(21(31)22(5-2,6-3)20(12)30)19(29)15-10-14(15)13-8-7-11(24)9-16(13)23(25,26)27;1-5-14-19(25)18(22(28)23(6-2,7-3)21(14)27)20(26)17-11-16(17)15-9-8-13(24)10-12(15)4;1-4-14-18(24)17(21(27)22(5-2,6-3)20(14)26)19(25)16-11-15(16)12-7-9-13(23)10-8-12;1-9-5-6-11(14(7-9)21(22,23)24)12-8-13(12)17(26)15-16(25)10(2)18(27)20(3,4)19(15)28/h8-9,12,17-18,31,33H,4-7,10-11,13H2,1-3H3;4-10,17-18,31,33H,11H2,1-3H3;7-9,14-15,28,30H,4-6,10H2,1-3H3;8-10,16-17,25,27H,5-7,11H2,1-4H3;7-10,15-16,24,26H,4-6,11H2,1-3H3;5-7,12-13,25,27H,8H2,1-4H3.

What are the key properties of 2-[2-(4-chloro-2-methylphenyl)cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;2-[2-(4-chlorophenyl)cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;2-[2-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-3,5-dihydroxy-4,6,6-tripropylcyclohexa-2,4-dien-1-one;2-[2-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;3,5-dihydroxy-4,6,6-trimethyl-2-[2-[4-methyl-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]cyclohexa-2,4-dien-1-one;2-[2-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-3,5-dihydroxy-4,6,6-trimethylcyclohexa-2,4-dien-1-one?

2-[2-(4-chloro-2-methylphenyl)cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;2-[2-(4-chlorophenyl)cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;2-[2-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-3,5-dihydroxy-4,6,6-tripropylcyclohexa-2,4-dien-1-one;2-[2-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;3,5-dihydroxy-4,6,6-trimethyl-2-[2-[4-methyl-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]cyclohexa-2,4-dien-1-one;2-[2-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-3,5-dihydroxy-4,6,6-trimethylcyclohexa-2,4-dien-1-one has a molecular weight of 2632.50 g/mol, XLogP of 36.76, 35 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-chloro-2-methylphenyl)cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;2-[2-(4-chlorophenyl)cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;2-[2-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-3,5-dihydroxy-4,6,6-tripropylcyclohexa-2,4-dien-1-one;2-[2-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one;3,5-dihydroxy-4,6,6-trimethyl-2-[2-[4-methyl-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]cyclohexa-2,4-dien-1-one;2-[2-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-3,5-dihydroxy-4,6,6-trimethylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 159814825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).