2-chloro-1-methoxy-4-methylbenzene;2-chloro-4-methyl-1-phenylmethoxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethoxy-5-methylpyrimidine;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-3-methylbenzene;1-ethoxy-4-methylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-1,3,5-trimethylbenzene;6-methyl-2,3-dihydro-1,4-benzodioxine;2-methylfuran;1-methyl-4-methylsulfonylbenzene;1-methyl-3-propan-2-yloxybenzene;1-methyl-3-propoxybenzene;N,N,4-trimethylaniline;N,N,3-trimethylcyclohexa-2,4-dien-1-amine;3,4,5-trimethyl-1,2-oxazole

C183H235Cl3F3N5O21S — CID 159638652

About 2-chloro-1-methoxy-4-methylbenzene;2-chloro-4-methyl-1-phenylmethoxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethoxy-5-methylpyrimidine;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-3-methylbenzene;1-ethoxy-4-methylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-1,3,5-trimethylbenzene;6-methyl-2,3-dihydro-1,4-benzodioxine;2-methylfuran;1-methyl-4-methylsulfonylbenzene;1-methyl-3-propan-2-yloxybenzene;1-methyl-3-propoxybenzene;N,N,4-trimethylaniline;N,N,3-trimethylcyclohexa-2,4-dien-1-amine;3,4,5-trimethyl-1,2-oxazole

2-chloro-1-methoxy-4-methylbenzene;2-chloro-4-methyl-1-phenylmethoxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethoxy-5-methylpyrimidine;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-3-methylbenzene;1-ethoxy-4-methylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-1,3,5-trimethylbenzene;6-methyl-2,3-dihydro-1,4-benzodioxine;2-methylfuran;1-methyl-4-methylsulfonylbenzene;1-methyl-3-propan-2-yloxybenzene;1-methyl-3-propoxybenzene;N,N,4-trimethylaniline;N,N,3-trimethylcyclohexa-2,4-dien-1-amine;3,4,5-trimethyl-1,2-oxazole (PubChem CID 159638652) has the molecular formula C183H235Cl3F3N5O21S and a molecular weight of 3036.33 g/mol. Its IUPAC name is 2-chloro-1-methoxy-4-methylbenzene;2-chloro-4-methyl-1-phenylmethoxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethoxy-5-methylpyrimidine;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-3-methylbenzene;1-ethoxy-4-methylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-1,3,5-trimethylbenzene;6-methyl-2,3-dihydro-1,4-benzodioxine;2-methylfuran;1-methyl-4-methylsulfonylbenzene;1-methyl-3-propan-2-yloxybenzene;1-methyl-3-propoxybenzene;N,N,4-trimethylaniline;N,N,3-trimethylcyclohexa-2,4-dien-1-amine;3,4,5-trimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: 2-chloro-1-methoxy-4-methylbenzene;2-chloro-4-methyl-1-phenylmethoxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethoxy-5-methylpyrimidine;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-3-methylbenzene;1-ethoxy-4-methylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-1,3,5-trimethylbenzene;6-methyl-2,3-dihydro-1,4-benzodioxine;2-methylfuran;1-methyl-4-methylsulfonylbenzene;1-methyl-3-propan-2-yloxybenzene;1-methyl-3-propoxybenzene;N,N,4-trimethylaniline;N,N,3-trimethylcyclohexa-2,4-dien-1-amine;3,4,5-trimethyl-1,2-oxazole
• PubChem CID: 159638652
• Molecular Formula: C183H235Cl3F3N5O21S
• Molecular Weight: 3036.33 g/mol
• Exact Mass: 3032.62
• IUPAC Name: 2-chloro-1-methoxy-4-methylbenzene;2-chloro-4-methyl-1-phenylmethoxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethoxy-5-methylpyrimidine;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-3-methylbenzene;1-ethoxy-4-methylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-1,3,5-trimethylbenzene;6-methyl-2,3-dihydro-1,4-benzodioxine;2-methylfuran;1-methyl-4-methylsulfonylbenzene;1-methyl-3-propan-2-yloxybenzene;1-methyl-3-propoxybenzene;N,N,4-trimethylaniline;N,N,3-trimethylcyclohexa-2,4-dien-1-amine;3,4,5-trimethyl-1,2-oxazole
• SMILES: CC1=CC(N(C)C)CC=C1.CCCOc1cccc(C)c1.CCOc1ccc(C)cc1.CCOc1ccc(C)cc1F.CCOc1cccc(C)c1.COCc1cccc(C)c1.COc1c(C)cc(C)cc1C.COc1ccc(C)cc1Cl.COc1ccc2cc(C)ccc2c1.COc1ncc(C)c(OC)n1.Cc1cc(OC(C)C)ccc1F.Cc1ccc(N(C)C)cc1.Cc1ccc(OC(C)C)c(Cl)c1.Cc1ccc(OC(C)C)c(F)c1.Cc1ccc(OCc2ccccc2)c(Cl)c1.Cc1ccc(S(C)(=O)=O)cc1.Cc1ccc2c(c1)OCCO2.Cc1cccc(OC(C)C)c1.Cc1ccco1.Cc1noc(C)c1C
• InChI: InChI=1S/C14H13ClO.C12H12O.C10H13ClO.2C10H13FO.3C10H14O.C9H11FO.C9H13N.C9H15N.C9H10O2.3C9H12O.C8H9ClO.C8H10O2S.C7H10N2O2.C6H9NO.C5H6O/c1-11-7-8-14(13(15)9-11)16-10-12-5-3-2-4-6-12;1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-7(2)12-10-5-4-8(3)6-9(10)11;1-7(2)12-9-4-5-10(11)8(3)6-9;1-7(2)12-10-5-4-8(3)6-9(10)11;1-7-5-8(2)10(11-4)9(3)6-7;1-8(2)11-10-6-4-5-9(3)7-10;1-3-7-11-10-6-4-5-9(2)8-10;1-3-11-9-5-4-7(2)6-8(9)10;1-8-4-6-9(7-5-8)10(2)3;1-8-5-4-6-9(7-8)10(2)3;1-7-2-3-8-9(6-7)11-5-4-10-8;1-8-4-3-5-9(6-8)7-10-2;1-3-10-9-6-4-8(2)5-7-9;1-3-10-9-6-4-5-8(2)7-9;1-6-3-4-8(10-2)7(9)5-6;1-7-3-5-8(6-4-7)11(2,9)10;1-5-4-8-7(11-3)9-6(5)10-2;1-4-5(2)7-8-6(4)3;1-5-3-2-4-6-5/h2-9H,10H2,1H3;3-8H,1-2H3;3*4-7H,1-3H3;5-6H,1-4H3;4-8H,1-3H3;4-6,8H,3,7H2,1-2H3;4-6H,3H2,1-2H3;4-7H,1-3H3;4-5,7,9H,6H2,1-3H3;2-3,6H,4-5H2,1H3;3-6H,7H2,1-2H3;2*4-7H,3H2,1-2H3;3-5H,1-2H3;3-6H,1-2H3;4H,1-3H3;1-3H3;2-4H,1H3
• InChIKey: MQBHXISCGRWIMF-UHFFFAOYSA-N
• XLogP: 48.01
• TPSA: 262.48 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 30
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3036.33
LogP ≤ 5	48.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methoxy-4-methylbenzene;2-chloro-4-methyl-1-phenylmethoxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethoxy-5-methylpyrimidine;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-3-methylbenzene;1-ethoxy-4-methylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-1,3,5-trimethylbenzene;6-methyl-2,3-dihydro-1,4-benzodioxine;2-methylfuran;1-methyl-4-methylsulfonylbenzene;1-methyl-3-propan-2-yloxybenzene;1-methyl-3-propoxybenzene;N,N,4-trimethylaniline;N,N,3-trimethylcyclohexa-2,4-dien-1-amine;3,4,5-trimethyl-1,2-oxazole?

The IUPAC name of 2-chloro-1-methoxy-4-methylbenzene;2-chloro-4-methyl-1-phenylmethoxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethoxy-5-methylpyrimidine;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-3-methylbenzene;1-ethoxy-4-methylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-1,3,5-trimethylbenzene;6-methyl-2,3-dihydro-1,4-benzodioxine;2-methylfuran;1-methyl-4-methylsulfonylbenzene;1-methyl-3-propan-2-yloxybenzene;1-methyl-3-propoxybenzene;N,N,4-trimethylaniline;N,N,3-trimethylcyclohexa-2,4-dien-1-amine;3,4,5-trimethyl-1,2-oxazole (CID 159638652) is 2-chloro-1-methoxy-4-methylbenzene;2-chloro-4-methyl-1-phenylmethoxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethoxy-5-methylpyrimidine;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-3-methylbenzene;1-ethoxy-4-methylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-1,3,5-trimethylbenzene;6-methyl-2,3-dihydro-1,4-benzodioxine;2-methylfuran;1-methyl-4-methylsulfonylbenzene;1-methyl-3-propan-2-yloxybenzene;1-methyl-3-propoxybenzene;N,N,4-trimethylaniline;N,N,3-trimethylcyclohexa-2,4-dien-1-amine;3,4,5-trimethyl-1,2-oxazole.

What is the SMILES notation for 2-chloro-1-methoxy-4-methylbenzene;2-chloro-4-methyl-1-phenylmethoxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethoxy-5-methylpyrimidine;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-3-methylbenzene;1-ethoxy-4-methylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-1,3,5-trimethylbenzene;6-methyl-2,3-dihydro-1,4-benzodioxine;2-methylfuran;1-methyl-4-methylsulfonylbenzene;1-methyl-3-propan-2-yloxybenzene;1-methyl-3-propoxybenzene;N,N,4-trimethylaniline;N,N,3-trimethylcyclohexa-2,4-dien-1-amine;3,4,5-trimethyl-1,2-oxazole?

The canonical SMILES for 2-chloro-1-methoxy-4-methylbenzene;2-chloro-4-methyl-1-phenylmethoxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethoxy-5-methylpyrimidine;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-3-methylbenzene;1-ethoxy-4-methylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-1,3,5-trimethylbenzene;6-methyl-2,3-dihydro-1,4-benzodioxine;2-methylfuran;1-methyl-4-methylsulfonylbenzene;1-methyl-3-propan-2-yloxybenzene;1-methyl-3-propoxybenzene;N,N,4-trimethylaniline;N,N,3-trimethylcyclohexa-2,4-dien-1-amine;3,4,5-trimethyl-1,2-oxazole is CC1=CC(N(C)C)CC=C1.CCCOc1cccc(C)c1.CCOc1ccc(C)cc1.CCOc1ccc(C)cc1F.CCOc1cccc(C)c1.COCc1cccc(C)c1.COc1c(C)cc(C)cc1C.COc1ccc(C)cc1Cl.COc1ccc2cc(C)ccc2c1.COc1ncc(C)c(OC)n1.Cc1cc(OC(C)C)ccc1F.Cc1ccc(N(C)C)cc1.Cc1ccc(OC(C)C)c(Cl)c1.Cc1ccc(OC(C)C)c(F)c1.Cc1ccc(OCc2ccccc2)c(Cl)c1.Cc1ccc(S(C)(=O)=O)cc1.Cc1ccc2c(c1)OCCO2.Cc1cccc(OC(C)C)c1.Cc1ccco1.Cc1noc(C)c1C.

What is the InChIKey of 2-chloro-1-methoxy-4-methylbenzene;2-chloro-4-methyl-1-phenylmethoxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethoxy-5-methylpyrimidine;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-3-methylbenzene;1-ethoxy-4-methylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-1,3,5-trimethylbenzene;6-methyl-2,3-dihydro-1,4-benzodioxine;2-methylfuran;1-methyl-4-methylsulfonylbenzene;1-methyl-3-propan-2-yloxybenzene;1-methyl-3-propoxybenzene;N,N,4-trimethylaniline;N,N,3-trimethylcyclohexa-2,4-dien-1-amine;3,4,5-trimethyl-1,2-oxazole?

The InChIKey is MQBHXISCGRWIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO.C12H12O.C10H13ClO.2C10H13FO.3C10H14O.C9H11FO.C9H13N.C9H15N.C9H10O2.3C9H12O.C8H9ClO.C8H10O2S.C7H10N2O2.C6H9NO.C5H6O/c1-11-7-8-14(13(15)9-11)16-10-12-5-3-2-4-6-12;1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-7(2)12-10-5-4-8(3)6-9(10)11;1-7(2)12-9-4-5-10(11)8(3)6-9;1-7(2)12-10-5-4-8(3)6-9(10)11;1-7-5-8(2)10(11-4)9(3)6-7;1-8(2)11-10-6-4-5-9(3)7-10;1-3-7-11-10-6-4-5-9(2)8-10;1-3-11-9-5-4-7(2)6-8(9)10;1-8-4-6-9(7-5-8)10(2)3;1-8-5-4-6-9(7-8)10(2)3;1-7-2-3-8-9(6-7)11-5-4-10-8;1-8-4-3-5-9(6-8)7-10-2;1-3-10-9-6-4-8(2)5-7-9;1-3-10-9-6-4-5-8(2)7-9;1-6-3-4-8(10-2)7(9)5-6;1-7-3-5-8(6-4-7)11(2,9)10;1-5-4-8-7(11-3)9-6(5)10-2;1-4-5(2)7-8-6(4)3;1-5-3-2-4-6-5/h2-9H,10H2,1H3;3-8H,1-2H3;3*4-7H,1-3H3;5-6H,1-4H3;4-8H,1-3H3;4-6,8H,3,7H2,1-2H3;4-6H,3H2,1-2H3;4-7H,1-3H3;4-5,7,9H,6H2,1-3H3;2-3,6H,4-5H2,1H3;3-6H,7H2,1-2H3;2*4-7H,3H2,1-2H3;3-5H,1-2H3;3-6H,1-2H3;4H,1-3H3;1-3H3;2-4H,1H3.

What are the key properties of 2-chloro-1-methoxy-4-methylbenzene;2-chloro-4-methyl-1-phenylmethoxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethoxy-5-methylpyrimidine;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-3-methylbenzene;1-ethoxy-4-methylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-1,3,5-trimethylbenzene;6-methyl-2,3-dihydro-1,4-benzodioxine;2-methylfuran;1-methyl-4-methylsulfonylbenzene;1-methyl-3-propan-2-yloxybenzene;1-methyl-3-propoxybenzene;N,N,4-trimethylaniline;N,N,3-trimethylcyclohexa-2,4-dien-1-amine;3,4,5-trimethyl-1,2-oxazole?

2-chloro-1-methoxy-4-methylbenzene;2-chloro-4-methyl-1-phenylmethoxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethoxy-5-methylpyrimidine;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-3-methylbenzene;1-ethoxy-4-methylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-1,3,5-trimethylbenzene;6-methyl-2,3-dihydro-1,4-benzodioxine;2-methylfuran;1-methyl-4-methylsulfonylbenzene;1-methyl-3-propan-2-yloxybenzene;1-methyl-3-propoxybenzene;N,N,4-trimethylaniline;N,N,3-trimethylcyclohexa-2,4-dien-1-amine;3,4,5-trimethyl-1,2-oxazole has a molecular weight of 3036.33 g/mol, XLogP of 48.01, 30 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-1-methoxy-4-methylbenzene;2-chloro-4-methyl-1-phenylmethoxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethoxy-5-methylpyrimidine;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-3-methylbenzene;1-ethoxy-4-methylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-1,3,5-trimethylbenzene;6-methyl-2,3-dihydro-1,4-benzodioxine;2-methylfuran;1-methyl-4-methylsulfonylbenzene;1-methyl-3-propan-2-yloxybenzene;1-methyl-3-propoxybenzene;N,N,4-trimethylaniline;N,N,3-trimethylcyclohexa-2,4-dien-1-amine;3,4,5-trimethyl-1,2-oxazole is sourced from PubChem (CID 159638652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).