2-chloro-1-methoxy-4-propan-2-ylbenzene;1-chloro-2-methyl-4-propan-2-ylbenzene;2,4-dimethoxy-1-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;methane;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;2-(3-propan-2-ylphenyl)ethanol;(3-propan-2-ylphenyl) formate

C215H315Cl2F4NO14 — CID 159466812

About 2-chloro-1-methoxy-4-propan-2-ylbenzene;1-chloro-2-methyl-4-propan-2-ylbenzene;2,4-dimethoxy-1-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;methane;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;2-(3-propan-2-ylphenyl)ethanol;(3-propan-2-ylphenyl) formate

2-chloro-1-methoxy-4-propan-2-ylbenzene;1-chloro-2-methyl-4-propan-2-ylbenzene;2,4-dimethoxy-1-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;methane;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;2-(3-propan-2-ylphenyl)ethanol;(3-propan-2-ylphenyl) formate (PubChem CID 159466812) has the molecular formula C215H315Cl2F4NO14 and a molecular weight of 3284.78 g/mol. Its IUPAC name is 2-chloro-1-methoxy-4-propan-2-ylbenzene;1-chloro-2-methyl-4-propan-2-ylbenzene;2,4-dimethoxy-1-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;methane;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;2-(3-propan-2-ylphenyl)ethanol;(3-propan-2-ylphenyl) formate.

Molecular Properties

• Compound Name: 2-chloro-1-methoxy-4-propan-2-ylbenzene;1-chloro-2-methyl-4-propan-2-ylbenzene;2,4-dimethoxy-1-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;methane;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;2-(3-propan-2-ylphenyl)ethanol;(3-propan-2-ylphenyl) formate
• PubChem CID: 159466812
• Molecular Formula: C215H315Cl2F4NO14
• Molecular Weight: 3284.78 g/mol
• Exact Mass: 3281.33
• IUPAC Name: 2-chloro-1-methoxy-4-propan-2-ylbenzene;1-chloro-2-methyl-4-propan-2-ylbenzene;2,4-dimethoxy-1-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;methane;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;2-(3-propan-2-ylphenyl)ethanol;(3-propan-2-ylphenyl) formate
• SMILES: C.C.C.C.C.C.CC(C)c1ccc(N(C)C)cc1.CC(C)c1cccc(CCO)c1.CC(C)c1cccc(OC=O)c1.CCc1cccc(C(C)C)c1.COc1ccc(C(C)C)c(C)c1.COc1ccc(C(C)C)c(F)c1.COc1ccc(C(C)C)c(OC)c1.COc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1C.COc1ccc(C(C)C)cc1C.COc1ccc(C(C)C)cc1Cl.COc1ccc(F)cc1C(C)C.COc1cccc(C(C)C)c1.Cc1cc(C(C)C)ccc1CO.Cc1cc(C(C)C)ccc1Cl.Cc1cc(C(C)C)ccc1F.Cc1cc(C)cc(C(C)C)c1.Cc1cc(F)ccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccccc1C(C)C
• InChI: InChI=1S/C11H17N.C11H16O2.5C11H16O.2C11H16.C10H13ClO.C10H13Cl.2C10H13FO.2C10H13F.C10H12O2.2C10H14O.2C10H14.6CH4/c1-9(2)10-5-7-11(8-6-10)12(3)4;1-8(2)10-6-5-9(12-3)7-11(10)13-4;1-8(2)11-6-5-10(12-4)7-9(11)3;2*1-8(2)10-5-6-11(12-4)9(3)7-10;1-8(2)10-4-5-11(7-12)9(3)6-10;1-9(2)11-5-3-4-10(8-11)6-7-12;1-8(2)11-6-9(3)5-10(4)7-11;1-4-10-6-5-7-11(8-10)9(2)3;1-7(2)8-4-5-10(12-3)9(11)6-8;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-6-8(11)4-5-10(9)12-3;1-7(2)9-5-4-8(12-3)6-10(9)11;1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)9-4-5-10(11)8(3)6-9;1-8(2)9-4-3-5-10(6-9)12-7-11;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;;;;;;/h5-9H,1-4H3;5-8H,1-4H3;3*5-8H,1-4H3;4-6,8,12H,7H2,1-3H3;3-5,8-9,12H,6-7H2,1-2H3;5-8H,1-4H3;5-9H,4H2,1-3H3;4-7H,1-3H3;4-7H,1-3H3;2*4-7H,1-3H3;2*4-7H,1-3H3;3-8H,1-2H3;2*4-8H,1-3H3;2*4-8H,1-3H3;6*1H4
• InChIKey: LVHDZQRZJUBZKW-UHFFFAOYSA-N
• XLogP: 64.55
• TPSA: 162.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 37
• Heavy Atoms: 236
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3284.78
LogP ≤ 5	64.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methoxy-4-propan-2-ylbenzene;1-chloro-2-methyl-4-propan-2-ylbenzene;2,4-dimethoxy-1-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;methane;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;2-(3-propan-2-ylphenyl)ethanol;(3-propan-2-ylphenyl) formate?

The IUPAC name of 2-chloro-1-methoxy-4-propan-2-ylbenzene;1-chloro-2-methyl-4-propan-2-ylbenzene;2,4-dimethoxy-1-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;methane;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;2-(3-propan-2-ylphenyl)ethanol;(3-propan-2-ylphenyl) formate (CID 159466812) is 2-chloro-1-methoxy-4-propan-2-ylbenzene;1-chloro-2-methyl-4-propan-2-ylbenzene;2,4-dimethoxy-1-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;methane;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;2-(3-propan-2-ylphenyl)ethanol;(3-propan-2-ylphenyl) formate.

What is the SMILES notation for 2-chloro-1-methoxy-4-propan-2-ylbenzene;1-chloro-2-methyl-4-propan-2-ylbenzene;2,4-dimethoxy-1-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;methane;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;2-(3-propan-2-ylphenyl)ethanol;(3-propan-2-ylphenyl) formate?

The canonical SMILES for 2-chloro-1-methoxy-4-propan-2-ylbenzene;1-chloro-2-methyl-4-propan-2-ylbenzene;2,4-dimethoxy-1-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;methane;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;2-(3-propan-2-ylphenyl)ethanol;(3-propan-2-ylphenyl) formate is C.C.C.C.C.C.CC(C)c1ccc(N(C)C)cc1.CC(C)c1cccc(CCO)c1.CC(C)c1cccc(OC=O)c1.CCc1cccc(C(C)C)c1.COc1ccc(C(C)C)c(C)c1.COc1ccc(C(C)C)c(F)c1.COc1ccc(C(C)C)c(OC)c1.COc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1C.COc1ccc(C(C)C)cc1C.COc1ccc(C(C)C)cc1Cl.COc1ccc(F)cc1C(C)C.COc1cccc(C(C)C)c1.Cc1cc(C(C)C)ccc1CO.Cc1cc(C(C)C)ccc1Cl.Cc1cc(C(C)C)ccc1F.Cc1cc(C)cc(C(C)C)c1.Cc1cc(F)ccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccccc1C(C)C.

What is the InChIKey of 2-chloro-1-methoxy-4-propan-2-ylbenzene;1-chloro-2-methyl-4-propan-2-ylbenzene;2,4-dimethoxy-1-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;methane;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;2-(3-propan-2-ylphenyl)ethanol;(3-propan-2-ylphenyl) formate?

The InChIKey is LVHDZQRZJUBZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.C11H16O2.5C11H16O.2C11H16.C10H13ClO.C10H13Cl.2C10H13FO.2C10H13F.C10H12O2.2C10H14O.2C10H14.6CH4/c1-9(2)10-5-7-11(8-6-10)12(3)4;1-8(2)10-6-5-9(12-3)7-11(10)13-4;1-8(2)11-6-5-10(12-4)7-9(11)3;2*1-8(2)10-5-6-11(12-4)9(3)7-10;1-8(2)10-4-5-11(7-12)9(3)6-10;1-9(2)11-5-3-4-10(8-11)6-7-12;1-8(2)11-6-9(3)5-10(4)7-11;1-4-10-6-5-7-11(8-10)9(2)3;1-7(2)8-4-5-10(12-3)9(11)6-8;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-6-8(11)4-5-10(9)12-3;1-7(2)9-5-4-8(12-3)6-10(9)11;1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)9-4-5-10(11)8(3)6-9;1-8(2)9-4-3-5-10(6-9)12-7-11;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;;;;;;/h5-9H,1-4H3;5-8H,1-4H3;3*5-8H,1-4H3;4-6,8,12H,7H2,1-3H3;3-5,8-9,12H,6-7H2,1-2H3;5-8H,1-4H3;5-9H,4H2,1-3H3;4-7H,1-3H3;4-7H,1-3H3;2*4-7H,1-3H3;2*4-7H,1-3H3;3-8H,1-2H3;2*4-8H,1-3H3;2*4-8H,1-3H3;6*1H4.

What are the key properties of 2-chloro-1-methoxy-4-propan-2-ylbenzene;1-chloro-2-methyl-4-propan-2-ylbenzene;2,4-dimethoxy-1-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;methane;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;2-(3-propan-2-ylphenyl)ethanol;(3-propan-2-ylphenyl) formate?

2-chloro-1-methoxy-4-propan-2-ylbenzene;1-chloro-2-methyl-4-propan-2-ylbenzene;2,4-dimethoxy-1-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;methane;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;2-(3-propan-2-ylphenyl)ethanol;(3-propan-2-ylphenyl) formate has a molecular weight of 3284.78 g/mol, XLogP of 64.55, 37 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-1-methoxy-4-propan-2-ylbenzene;1-chloro-2-methyl-4-propan-2-ylbenzene;2,4-dimethoxy-1-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;methane;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;2-(3-propan-2-ylphenyl)ethanol;(3-propan-2-ylphenyl) formate is sourced from PubChem (CID 159466812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).