3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;2-(2,4-dimethylphenyl)acetic acid;2-(2-ethoxy-4-methylphenyl)acetaldehyde;2-(2-ethyl-4-methylphenyl)acetic acid;6-methyl-3H-1-benzofuran-2-one;7-methyl-2,4-dihydro-1H-isoquinolin-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;methyl 2-(4-methylphenyl)acetate;2-[4-methyl-2-(2-methylpropyl)phenyl]acetic acid;2-(4-methylphenoxy)ethanol;2-(4-methylphenyl)acetaldehyde;2-(4-methylphenyl)acetamide;2-(4-methyl-2-propylphenyl)acetic acid;2,4,6-trimethylphenol

C151H182N6O24 — CID 157387909

About 3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;2-(2,4-dimethylphenyl)acetic acid;2-(2-ethoxy-4-methylphenyl)acetaldehyde;2-(2-ethyl-4-methylphenyl)acetic acid;6-methyl-3H-1-benzofuran-2-one;7-methyl-2,4-dihydro-1H-isoquinolin-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;methyl 2-(4-methylphenyl)acetate;2-[4-methyl-2-(2-methylpropyl)phenyl]acetic acid;2-(4-methylphenoxy)ethanol;2-(4-methylphenyl)acetaldehyde;2-(4-methylphenyl)acetamide;2-(4-methyl-2-propylphenyl)acetic acid;2,4,6-trimethylphenol

3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;2-(2,4-dimethylphenyl)acetic acid;2-(2-ethoxy-4-methylphenyl)acetaldehyde;2-(2-ethyl-4-methylphenyl)acetic acid;6-methyl-3H-1-benzofuran-2-one;7-methyl-2,4-dihydro-1H-isoquinolin-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;methyl 2-(4-methylphenyl)acetate;2-[4-methyl-2-(2-methylpropyl)phenyl]acetic acid;2-(4-methylphenoxy)ethanol;2-(4-methylphenyl)acetaldehyde;2-(4-methylphenyl)acetamide;2-(4-methyl-2-propylphenyl)acetic acid;2,4,6-trimethylphenol (PubChem CID 157387909) has the molecular formula C151H182N6O24 and a molecular weight of 2465.13 g/mol. Its IUPAC name is 3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;2-(2,4-dimethylphenyl)acetic acid;2-(2-ethoxy-4-methylphenyl)acetaldehyde;2-(2-ethyl-4-methylphenyl)acetic acid;6-methyl-3H-1-benzofuran-2-one;7-methyl-2,4-dihydro-1H-isoquinolin-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;methyl 2-(4-methylphenyl)acetate;2-[4-methyl-2-(2-methylpropyl)phenyl]acetic acid;2-(4-methylphenoxy)ethanol;2-(4-methylphenyl)acetaldehyde;2-(4-methylphenyl)acetamide;2-(4-methyl-2-propylphenyl)acetic acid;2,4,6-trimethylphenol.

Molecular Properties

• Compound Name: 3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;2-(2,4-dimethylphenyl)acetic acid;2-(2-ethoxy-4-methylphenyl)acetaldehyde;2-(2-ethyl-4-methylphenyl)acetic acid;6-methyl-3H-1-benzofuran-2-one;7-methyl-2,4-dihydro-1H-isoquinolin-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;methyl 2-(4-methylphenyl)acetate;2-[4-methyl-2-(2-methylpropyl)phenyl]acetic acid;2-(4-methylphenoxy)ethanol;2-(4-methylphenyl)acetaldehyde;2-(4-methylphenyl)acetamide;2-(4-methyl-2-propylphenyl)acetic acid;2,4,6-trimethylphenol
• PubChem CID: 157387909
• Molecular Formula: C151H182N6O24
• Molecular Weight: 2465.13 g/mol
• Exact Mass: 2463.32
• IUPAC Name: 3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;2-(2,4-dimethylphenyl)acetic acid;2-(2-ethoxy-4-methylphenyl)acetaldehyde;2-(2-ethyl-4-methylphenyl)acetic acid;6-methyl-3H-1-benzofuran-2-one;7-methyl-2,4-dihydro-1H-isoquinolin-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;methyl 2-(4-methylphenyl)acetate;2-[4-methyl-2-(2-methylpropyl)phenyl]acetic acid;2-(4-methylphenoxy)ethanol;2-(4-methylphenyl)acetaldehyde;2-(4-methylphenyl)acetamide;2-(4-methyl-2-propylphenyl)acetic acid;2,4,6-trimethylphenol
• SMILES: CCCc1cc(C)ccc1CC(=O)O.CCOc1cc(C)ccc1CC=O.CCc1cc(C)ccc1CC(=O)O.COC(=O)Cc1ccc(C)cc1.Cc1cc(C)c(O)c(C)c1.Cc1ccc(CC(=O)O)c(C)c1.Cc1ccc(CC(=O)O)c(CC(C)C)c1.Cc1ccc(CC(N)=O)cc1.Cc1ccc(CC=O)cc1.Cc1ccc(OCCO)cc1.Cc1ccc2c(c1)C(=O)NCC2.Cc1ccc2c(c1)CNC(=O)C2.Cc1ccc2c(c1)N(C)C(=O)NC2.Cc1ccc2c(c1)OC(=O)C2.Cc1ccc2oc(=O)n(C)c2c1
• InChI: InChI=1S/C13H18O2.C12H16O2.2C11H14O2.C10H12N2O.2C10H11NO.2C10H12O2.C9H9NO2.C9H11NO.C9H8O2.C9H12O2.C9H12O.C9H10O/c1-9(2)6-12-7-10(3)4-5-11(12)8-13(14)15;1-3-4-10-7-9(2)5-6-11(10)8-12(13)14;1-3-9-6-8(2)4-5-10(9)7-11(12)13;1-3-13-11-8-9(2)4-5-10(11)6-7-12;1-7-3-4-8-6-11-10(13)12(2)9(8)5-7;1-7-2-3-8-5-10(12)11-6-9(8)4-7;1-7-2-3-8-4-5-11-10(12)9(8)6-7;1-8-3-5-9(6-4-8)7-10(11)12-2;1-7-3-4-9(6-10(11)12)8(2)5-7;1-6-3-4-8-7(5-6)10(2)9(11)12-8;1-7-2-4-8(5-3-7)6-9(10)11;1-6-2-3-7-5-9(10)11-8(7)4-6;1-8-2-4-9(5-3-8)11-7-6-10;1-6-4-7(2)9(10)8(3)5-6;1-8-2-4-9(5-3-8)6-7-10/h4-5,7,9H,6,8H2,1-3H3,(H,14,15);5-7H,3-4,8H2,1-2H3,(H,13,14);4-6H,3,7H2,1-2H3,(H,12,13);4-5,7-8H,3,6H2,1-2H3;3-5H,6H2,1-2H3,(H,11,13);2-4H,5-6H2,1H3,(H,11,12);2-3,6H,4-5H2,1H3,(H,11,12);3-6H,7H2,1-2H3;3-5H,6H2,1-2H3,(H,11,12);3-5H,1-2H3;2-5H,6H2,1H3,(H2,10,11);2-4H,5H2,1H3;2-5,10H,6-7H2,1H3;4-5,10H,1-3H3;2-5,7H,6H2,1H3
• InChIKey: BLQLTMKJTYOQDF-UHFFFAOYSA-N
• XLogP: 26.80
• TPSA: 463.63 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 21
• Rotatable Bonds: 26
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2465.13
LogP ≤ 5	26.80
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;2-(2,4-dimethylphenyl)acetic acid;2-(2-ethoxy-4-methylphenyl)acetaldehyde;2-(2-ethyl-4-methylphenyl)acetic acid;6-methyl-3H-1-benzofuran-2-one;7-methyl-2,4-dihydro-1H-isoquinolin-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;methyl 2-(4-methylphenyl)acetate;2-[4-methyl-2-(2-methylpropyl)phenyl]acetic acid;2-(4-methylphenoxy)ethanol;2-(4-methylphenyl)acetaldehyde;2-(4-methylphenyl)acetamide;2-(4-methyl-2-propylphenyl)acetic acid;2,4,6-trimethylphenol?

The IUPAC name of 3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;2-(2,4-dimethylphenyl)acetic acid;2-(2-ethoxy-4-methylphenyl)acetaldehyde;2-(2-ethyl-4-methylphenyl)acetic acid;6-methyl-3H-1-benzofuran-2-one;7-methyl-2,4-dihydro-1H-isoquinolin-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;methyl 2-(4-methylphenyl)acetate;2-[4-methyl-2-(2-methylpropyl)phenyl]acetic acid;2-(4-methylphenoxy)ethanol;2-(4-methylphenyl)acetaldehyde;2-(4-methylphenyl)acetamide;2-(4-methyl-2-propylphenyl)acetic acid;2,4,6-trimethylphenol (CID 157387909) is 3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;2-(2,4-dimethylphenyl)acetic acid;2-(2-ethoxy-4-methylphenyl)acetaldehyde;2-(2-ethyl-4-methylphenyl)acetic acid;6-methyl-3H-1-benzofuran-2-one;7-methyl-2,4-dihydro-1H-isoquinolin-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;methyl 2-(4-methylphenyl)acetate;2-[4-methyl-2-(2-methylpropyl)phenyl]acetic acid;2-(4-methylphenoxy)ethanol;2-(4-methylphenyl)acetaldehyde;2-(4-methylphenyl)acetamide;2-(4-methyl-2-propylphenyl)acetic acid;2,4,6-trimethylphenol.

What is the SMILES notation for 3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;2-(2,4-dimethylphenyl)acetic acid;2-(2-ethoxy-4-methylphenyl)acetaldehyde;2-(2-ethyl-4-methylphenyl)acetic acid;6-methyl-3H-1-benzofuran-2-one;7-methyl-2,4-dihydro-1H-isoquinolin-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;methyl 2-(4-methylphenyl)acetate;2-[4-methyl-2-(2-methylpropyl)phenyl]acetic acid;2-(4-methylphenoxy)ethanol;2-(4-methylphenyl)acetaldehyde;2-(4-methylphenyl)acetamide;2-(4-methyl-2-propylphenyl)acetic acid;2,4,6-trimethylphenol?

The canonical SMILES for 3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;2-(2,4-dimethylphenyl)acetic acid;2-(2-ethoxy-4-methylphenyl)acetaldehyde;2-(2-ethyl-4-methylphenyl)acetic acid;6-methyl-3H-1-benzofuran-2-one;7-methyl-2,4-dihydro-1H-isoquinolin-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;methyl 2-(4-methylphenyl)acetate;2-[4-methyl-2-(2-methylpropyl)phenyl]acetic acid;2-(4-methylphenoxy)ethanol;2-(4-methylphenyl)acetaldehyde;2-(4-methylphenyl)acetamide;2-(4-methyl-2-propylphenyl)acetic acid;2,4,6-trimethylphenol is CCCc1cc(C)ccc1CC(=O)O.CCOc1cc(C)ccc1CC=O.CCc1cc(C)ccc1CC(=O)O.COC(=O)Cc1ccc(C)cc1.Cc1cc(C)c(O)c(C)c1.Cc1ccc(CC(=O)O)c(C)c1.Cc1ccc(CC(=O)O)c(CC(C)C)c1.Cc1ccc(CC(N)=O)cc1.Cc1ccc(CC=O)cc1.Cc1ccc(OCCO)cc1.Cc1ccc2c(c1)C(=O)NCC2.Cc1ccc2c(c1)CNC(=O)C2.Cc1ccc2c(c1)N(C)C(=O)NC2.Cc1ccc2c(c1)OC(=O)C2.Cc1ccc2oc(=O)n(C)c2c1.

What is the InChIKey of 3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;2-(2,4-dimethylphenyl)acetic acid;2-(2-ethoxy-4-methylphenyl)acetaldehyde;2-(2-ethyl-4-methylphenyl)acetic acid;6-methyl-3H-1-benzofuran-2-one;7-methyl-2,4-dihydro-1H-isoquinolin-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;methyl 2-(4-methylphenyl)acetate;2-[4-methyl-2-(2-methylpropyl)phenyl]acetic acid;2-(4-methylphenoxy)ethanol;2-(4-methylphenyl)acetaldehyde;2-(4-methylphenyl)acetamide;2-(4-methyl-2-propylphenyl)acetic acid;2,4,6-trimethylphenol?

The InChIKey is BLQLTMKJTYOQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2.C12H16O2.2C11H14O2.C10H12N2O.2C10H11NO.2C10H12O2.C9H9NO2.C9H11NO.C9H8O2.C9H12O2.C9H12O.C9H10O/c1-9(2)6-12-7-10(3)4-5-11(12)8-13(14)15;1-3-4-10-7-9(2)5-6-11(10)8-12(13)14;1-3-9-6-8(2)4-5-10(9)7-11(12)13;1-3-13-11-8-9(2)4-5-10(11)6-7-12;1-7-3-4-8-6-11-10(13)12(2)9(8)5-7;1-7-2-3-8-5-10(12)11-6-9(8)4-7;1-7-2-3-8-4-5-11-10(12)9(8)6-7;1-8-3-5-9(6-4-8)7-10(11)12-2;1-7-3-4-9(6-10(11)12)8(2)5-7;1-6-3-4-8-7(5-6)10(2)9(11)12-8;1-7-2-4-8(5-3-7)6-9(10)11;1-6-2-3-7-5-9(10)11-8(7)4-6;1-8-2-4-9(5-3-8)11-7-6-10;1-6-4-7(2)9(10)8(3)5-6;1-8-2-4-9(5-3-8)6-7-10/h4-5,7,9H,6,8H2,1-3H3,(H,14,15);5-7H,3-4,8H2,1-2H3,(H,13,14);4-6H,3,7H2,1-2H3,(H,12,13);4-5,7-8H,3,6H2,1-2H3;3-5H,6H2,1-2H3,(H,11,13);2-4H,5-6H2,1H3,(H,11,12);2-3,6H,4-5H2,1H3,(H,11,12);3-6H,7H2,1-2H3;3-5H,6H2,1-2H3,(H,11,12);3-5H,1-2H3;2-5H,6H2,1H3,(H2,10,11);2-4H,5H2,1H3;2-5,10H,6-7H2,1H3;4-5,10H,1-3H3;2-5,7H,6H2,1H3.

What are the key properties of 3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;2-(2,4-dimethylphenyl)acetic acid;2-(2-ethoxy-4-methylphenyl)acetaldehyde;2-(2-ethyl-4-methylphenyl)acetic acid;6-methyl-3H-1-benzofuran-2-one;7-methyl-2,4-dihydro-1H-isoquinolin-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;methyl 2-(4-methylphenyl)acetate;2-[4-methyl-2-(2-methylpropyl)phenyl]acetic acid;2-(4-methylphenoxy)ethanol;2-(4-methylphenyl)acetaldehyde;2-(4-methylphenyl)acetamide;2-(4-methyl-2-propylphenyl)acetic acid;2,4,6-trimethylphenol?

3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;2-(2,4-dimethylphenyl)acetic acid;2-(2-ethoxy-4-methylphenyl)acetaldehyde;2-(2-ethyl-4-methylphenyl)acetic acid;6-methyl-3H-1-benzofuran-2-one;7-methyl-2,4-dihydro-1H-isoquinolin-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;methyl 2-(4-methylphenyl)acetate;2-[4-methyl-2-(2-methylpropyl)phenyl]acetic acid;2-(4-methylphenoxy)ethanol;2-(4-methylphenyl)acetaldehyde;2-(4-methylphenyl)acetamide;2-(4-methyl-2-propylphenyl)acetic acid;2,4,6-trimethylphenol has a molecular weight of 2465.13 g/mol, XLogP of 26.80, 26 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;2-(2,4-dimethylphenyl)acetic acid;2-(2-ethoxy-4-methylphenyl)acetaldehyde;2-(2-ethyl-4-methylphenyl)acetic acid;6-methyl-3H-1-benzofuran-2-one;7-methyl-2,4-dihydro-1H-isoquinolin-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;methyl 2-(4-methylphenyl)acetate;2-[4-methyl-2-(2-methylpropyl)phenyl]acetic acid;2-(4-methylphenoxy)ethanol;2-(4-methylphenyl)acetaldehyde;2-(4-methylphenyl)acetamide;2-(4-methyl-2-propylphenyl)acetic acid;2,4,6-trimethylphenol is sourced from PubChem (CID 157387909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).