4-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-chloro-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-[1-(5,5,8,8-tetramethyl-3-propan-2-yl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid

C165H188BrClO19 — CID 158372415

About 4-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-chloro-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-[1-(5,5,8,8-tetramethyl-3-propan-2-yl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid

4-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-chloro-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-[1-(5,5,8,8-tetramethyl-3-propan-2-yl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid (PubChem CID 158372415) has the molecular formula C165H188BrClO19 and a molecular weight of 2590.66 g/mol. Its IUPAC name is 4-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-chloro-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-[1-(5,5,8,8-tetramethyl-3-propan-2-yl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid.

Molecular Properties

• Compound Name: 4-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-chloro-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-[1-(5,5,8,8-tetramethyl-3-propan-2-yl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid
• PubChem CID: 158372415
• Molecular Formula: C165H188BrClO19
• Molecular Weight: 2590.66 g/mol
• Exact Mass: 2587.26
• IUPAC Name: 4-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-chloro-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-[1-(5,5,8,8-tetramethyl-3-propan-2-yl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid
• SMILES: C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C(C)C)C(C)(C)CCC2(C)C.C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1CC)C(C)(C)CCC2(C)C.C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1Cl)C(C)(C)CCC2(C)C.C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1O)C(C)(C)CCC2(C)C.CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(C(=O)O)cc3)c(Br)cc21.CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(C(=O)O)cc3)c(O)cc21.CCc1cc2c(cc1C(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C
• InChI: InChI=1S/C26H32O2.C25H30O2.C24H28O3.C23H25ClO2.C23H26O3.C22H23BrO3.C22H24O4/c1-16(2)20-14-22-23(26(6,7)13-12-25(22,4)5)15-21(20)17(3)18-8-10-19(11-9-18)24(27)28;1-7-17-14-21-22(25(5,6)13-12-24(21,3)4)15-20(17)16(2)18-8-10-19(11-9-18)23(26)27;1-6-15-13-19-20(24(4,5)12-11-23(19,2)3)14-18(15)21(25)16-7-9-17(10-8-16)22(26)27;2*1-14(15-6-8-16(9-7-15)21(25)26)17-12-18-19(13-20(17)24)23(4,5)11-10-22(18,2)3;2*1-21(2)9-10-22(3,4)17-12-18(23)15(11-16(17)21)19(24)13-5-7-14(8-6-13)20(25)26/h8-11,14-16H,3,12-13H2,1-2,4-7H3,(H,27,28);8-11,14-15H,2,7,12-13H2,1,3-6H3,(H,26,27);7-10,13-14H,6,11-12H2,1-5H3,(H,26,27);6-9,12-13H,1,10-11H2,2-5H3,(H,25,26);6-9,12-13,24H,1,10-11H2,2-5H3,(H,25,26);5-8,11-12H,9-10H2,1-4H3,(H,25,26);5-8,11-12,23H,9-10H2,1-4H3,(H,25,26)
• InChIKey: GUTUIUUXERXGSA-UHFFFAOYSA-N
• XLogP: 41.15
• TPSA: 352.77 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 12
• Rotatable Bonds: 24
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2590.66
LogP ≤ 5	41.15
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-chloro-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-[1-(5,5,8,8-tetramethyl-3-propan-2-yl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid?

The IUPAC name of 4-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-chloro-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-[1-(5,5,8,8-tetramethyl-3-propan-2-yl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid (CID 158372415) is 4-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-chloro-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-[1-(5,5,8,8-tetramethyl-3-propan-2-yl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid.

What is the SMILES notation for 4-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-chloro-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-[1-(5,5,8,8-tetramethyl-3-propan-2-yl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid?

The canonical SMILES for 4-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-chloro-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-[1-(5,5,8,8-tetramethyl-3-propan-2-yl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid is C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C(C)C)C(C)(C)CCC2(C)C.C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1CC)C(C)(C)CCC2(C)C.C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1Cl)C(C)(C)CCC2(C)C.C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1O)C(C)(C)CCC2(C)C.CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(C(=O)O)cc3)c(Br)cc21.CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(C(=O)O)cc3)c(O)cc21.CCc1cc2c(cc1C(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C.

What is the InChIKey of 4-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-chloro-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-[1-(5,5,8,8-tetramethyl-3-propan-2-yl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid?

The InChIKey is GUTUIUUXERXGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O2.C25H30O2.C24H28O3.C23H25ClO2.C23H26O3.C22H23BrO3.C22H24O4/c1-16(2)20-14-22-23(26(6,7)13-12-25(22,4)5)15-21(20)17(3)18-8-10-19(11-9-18)24(27)28;1-7-17-14-21-22(25(5,6)13-12-24(21,3)4)15-20(17)16(2)18-8-10-19(11-9-18)23(26)27;1-6-15-13-19-20(24(4,5)12-11-23(19,2)3)14-18(15)21(25)16-7-9-17(10-8-16)22(26)27;2*1-14(15-6-8-16(9-7-15)21(25)26)17-12-18-19(13-20(17)24)23(4,5)11-10-22(18,2)3;2*1-21(2)9-10-22(3,4)17-12-18(23)15(11-16(17)21)19(24)13-5-7-14(8-6-13)20(25)26/h8-11,14-16H,3,12-13H2,1-2,4-7H3,(H,27,28);8-11,14-15H,2,7,12-13H2,1,3-6H3,(H,26,27);7-10,13-14H,6,11-12H2,1-5H3,(H,26,27);6-9,12-13H,1,10-11H2,2-5H3,(H,25,26);6-9,12-13,24H,1,10-11H2,2-5H3,(H,25,26);5-8,11-12H,9-10H2,1-4H3,(H,25,26);5-8,11-12,23H,9-10H2,1-4H3,(H,25,26).

What are the key properties of 4-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-chloro-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-[1-(5,5,8,8-tetramethyl-3-propan-2-yl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid?

4-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-chloro-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-[1-(5,5,8,8-tetramethyl-3-propan-2-yl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid has a molecular weight of 2590.66 g/mol, XLogP of 41.15, 24 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-chloro-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid;4-[1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-[1-(5,5,8,8-tetramethyl-3-propan-2-yl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid is sourced from PubChem (CID 158372415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).