1-chloro-4-(3-methylbutan-2-yloxy)benzene;1-chloro-2-(2-methylpropyl)benzene;cumene;2,3-dimethylbutane;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-propan-2-ylbenzenesulfonamide;1,2-dimethyl-3-propan-2-yloxybenzene;1-methoxy-2-(2-methylpropyl)benzene;2-methoxy-N-propan-2-ylaniline;1-methoxy-2-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;2-methoxy-4-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;2-methylpropylbenzene;2-methylpropylcyclohexane;3-propan-2-ylbenzoic acid;2-propan-2-ylcyclohexa-2,4-dien-1-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;4-propan-2-yl-1H-pyridin-2-one

C194H285Cl2N7O16S2 — CID 158074034

About 1-chloro-4-(3-methylbutan-2-yloxy)benzene;1-chloro-2-(2-methylpropyl)benzene;cumene;2,3-dimethylbutane;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-propan-2-ylbenzenesulfonamide;1,2-dimethyl-3-propan-2-yloxybenzene;1-methoxy-2-(2-methylpropyl)benzene;2-methoxy-N-propan-2-ylaniline;1-methoxy-2-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;2-methoxy-4-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;2-methylpropylbenzene;2-methylpropylcyclohexane;3-propan-2-ylbenzoic acid;2-propan-2-ylcyclohexa-2,4-dien-1-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;4-propan-2-yl-1H-pyridin-2-one

1-chloro-4-(3-methylbutan-2-yloxy)benzene;1-chloro-2-(2-methylpropyl)benzene;cumene;2,3-dimethylbutane;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-propan-2-ylbenzenesulfonamide;1,2-dimethyl-3-propan-2-yloxybenzene;1-methoxy-2-(2-methylpropyl)benzene;2-methoxy-N-propan-2-ylaniline;1-methoxy-2-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;2-methoxy-4-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;2-methylpropylbenzene;2-methylpropylcyclohexane;3-propan-2-ylbenzoic acid;2-propan-2-ylcyclohexa-2,4-dien-1-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;4-propan-2-yl-1H-pyridin-2-one (PubChem CID 158074034) has the molecular formula C194H285Cl2N7O16S2 and a molecular weight of 3106.49 g/mol. Its IUPAC name is 1-chloro-4-(3-methylbutan-2-yloxy)benzene;1-chloro-2-(2-methylpropyl)benzene;cumene;2,3-dimethylbutane;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-propan-2-ylbenzenesulfonamide;1,2-dimethyl-3-propan-2-yloxybenzene;1-methoxy-2-(2-methylpropyl)benzene;2-methoxy-N-propan-2-ylaniline;1-methoxy-2-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;2-methoxy-4-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;2-methylpropylbenzene;2-methylpropylcyclohexane;3-propan-2-ylbenzoic acid;2-propan-2-ylcyclohexa-2,4-dien-1-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;4-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 1-chloro-4-(3-methylbutan-2-yloxy)benzene;1-chloro-2-(2-methylpropyl)benzene;cumene;2,3-dimethylbutane;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-propan-2-ylbenzenesulfonamide;1,2-dimethyl-3-propan-2-yloxybenzene;1-methoxy-2-(2-methylpropyl)benzene;2-methoxy-N-propan-2-ylaniline;1-methoxy-2-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;2-methoxy-4-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;2-methylpropylbenzene;2-methylpropylcyclohexane;3-propan-2-ylbenzoic acid;2-propan-2-ylcyclohexa-2,4-dien-1-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;4-propan-2-yl-1H-pyridin-2-one
• PubChem CID: 158074034
• Molecular Formula: C194H285Cl2N7O16S2
• Molecular Weight: 3106.49 g/mol
• Exact Mass: 3103.05
• IUPAC Name: 1-chloro-4-(3-methylbutan-2-yloxy)benzene;1-chloro-2-(2-methylpropyl)benzene;cumene;2,3-dimethylbutane;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-propan-2-ylbenzenesulfonamide;1,2-dimethyl-3-propan-2-yloxybenzene;1-methoxy-2-(2-methylpropyl)benzene;2-methoxy-N-propan-2-ylaniline;1-methoxy-2-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;2-methoxy-4-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;2-methylpropylbenzene;2-methylpropylcyclohexane;3-propan-2-ylbenzoic acid;2-propan-2-ylcyclohexa-2,4-dien-1-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;4-propan-2-yl-1H-pyridin-2-one
• SMILES: CC(C)C(C)C.CC(C)C(C)Oc1ccc(Cl)cc1.CC(C)C1=CC=CCC1=O.CC(C)C1=CCC(=O)C=C1.CC(C)CC1CCCCC1.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1Cl.CC(C)c1cc[nH]c(=O)c1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1cccc(C(=O)O)c1.CC(C)c1cccc(S(=O)(=O)N(C)C)c1.CC(C)c1ccccc1.CNS(=O)(=O)c1ccc(C(C)C)cc1.COc1cc(C(C)C)ccn1.COc1ccccc1C(C)C.COc1ccccc1CC(C)C.COc1ccccc1NC(C)C.COc1ncccc1C(C)C.Cc1cccc(OC(C)C)c1C.Cc1ccccc1C(C)C
• InChI: InChI=1S/C11H15ClO.C11H17NO2S.C11H17N.2C11H16O.C10H13Cl.C10H15NO2S.C10H15NO.C10H12O2.C10H14O.C10H14.C10H20.C10H14.2C9H13NO.2C9H12O.C9H12.C8H11NO.C6H14/c1-8(2)9(3)13-11-6-4-10(12)5-7-11;1-9(2)10-6-5-7-11(8-10)15(13,14)12(3)4;1-9(2)10-5-7-11(8-6-10)12(3)4;1-8(2)12-11-7-5-6-9(3)10(11)4;1-9(2)8-10-6-4-5-7-11(10)12-3;1-8(2)7-9-5-3-4-6-10(9)11;1-8(2)9-4-6-10(7-5-9)14(12,13)11-3;1-8(2)11-9-6-4-5-7-10(9)12-3;1-7(2)8-4-3-5-9(6-8)10(11)12;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)10-7-5-4-6-9(10)3;2*1-9(2)8-10-6-4-3-5-7-10;1-7(2)8-4-5-10-9(6-8)11-3;1-7(2)8-5-4-6-10-9(8)11-3;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-4-9-8(10)5-7;1-5(2)6(3)4/h4-9H,1-3H3;5-9H,1-4H3;5-9H,1-4H3;5-8H,1-4H3;4-7,9H,8H2,1-3H3;3-6,8H,7H2,1-2H3;4-8,11H,1-3H3;4-8,11H,1-3H3;3-7H,1-2H3,(H,11,12);4-8H,1-3H3;4-8H,1-3H3;9-10H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;2*4-7H,1-3H3;2*3-5,7H,6H2,1-2H3;3-8H,1-2H3;3-6H,1-2H3,(H,9,10);5-6H,1-4H3
• InChIKey: FMDRIZPYHFMRIJ-UHFFFAOYSA-N
• XLogP: 52.63
• TPSA: 293.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 39
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3106.49
LogP ≤ 5	52.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(3-methylbutan-2-yloxy)benzene;1-chloro-2-(2-methylpropyl)benzene;cumene;2,3-dimethylbutane;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-propan-2-ylbenzenesulfonamide;1,2-dimethyl-3-propan-2-yloxybenzene;1-methoxy-2-(2-methylpropyl)benzene;2-methoxy-N-propan-2-ylaniline;1-methoxy-2-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;2-methoxy-4-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;2-methylpropylbenzene;2-methylpropylcyclohexane;3-propan-2-ylbenzoic acid;2-propan-2-ylcyclohexa-2,4-dien-1-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;4-propan-2-yl-1H-pyridin-2-one?

The IUPAC name of 1-chloro-4-(3-methylbutan-2-yloxy)benzene;1-chloro-2-(2-methylpropyl)benzene;cumene;2,3-dimethylbutane;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-propan-2-ylbenzenesulfonamide;1,2-dimethyl-3-propan-2-yloxybenzene;1-methoxy-2-(2-methylpropyl)benzene;2-methoxy-N-propan-2-ylaniline;1-methoxy-2-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;2-methoxy-4-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;2-methylpropylbenzene;2-methylpropylcyclohexane;3-propan-2-ylbenzoic acid;2-propan-2-ylcyclohexa-2,4-dien-1-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;4-propan-2-yl-1H-pyridin-2-one (CID 158074034) is 1-chloro-4-(3-methylbutan-2-yloxy)benzene;1-chloro-2-(2-methylpropyl)benzene;cumene;2,3-dimethylbutane;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-propan-2-ylbenzenesulfonamide;1,2-dimethyl-3-propan-2-yloxybenzene;1-methoxy-2-(2-methylpropyl)benzene;2-methoxy-N-propan-2-ylaniline;1-methoxy-2-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;2-methoxy-4-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;2-methylpropylbenzene;2-methylpropylcyclohexane;3-propan-2-ylbenzoic acid;2-propan-2-ylcyclohexa-2,4-dien-1-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;4-propan-2-yl-1H-pyridin-2-one.

What is the SMILES notation for 1-chloro-4-(3-methylbutan-2-yloxy)benzene;1-chloro-2-(2-methylpropyl)benzene;cumene;2,3-dimethylbutane;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-propan-2-ylbenzenesulfonamide;1,2-dimethyl-3-propan-2-yloxybenzene;1-methoxy-2-(2-methylpropyl)benzene;2-methoxy-N-propan-2-ylaniline;1-methoxy-2-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;2-methoxy-4-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;2-methylpropylbenzene;2-methylpropylcyclohexane;3-propan-2-ylbenzoic acid;2-propan-2-ylcyclohexa-2,4-dien-1-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;4-propan-2-yl-1H-pyridin-2-one?

The canonical SMILES for 1-chloro-4-(3-methylbutan-2-yloxy)benzene;1-chloro-2-(2-methylpropyl)benzene;cumene;2,3-dimethylbutane;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-propan-2-ylbenzenesulfonamide;1,2-dimethyl-3-propan-2-yloxybenzene;1-methoxy-2-(2-methylpropyl)benzene;2-methoxy-N-propan-2-ylaniline;1-methoxy-2-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;2-methoxy-4-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;2-methylpropylbenzene;2-methylpropylcyclohexane;3-propan-2-ylbenzoic acid;2-propan-2-ylcyclohexa-2,4-dien-1-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;4-propan-2-yl-1H-pyridin-2-one is CC(C)C(C)C.CC(C)C(C)Oc1ccc(Cl)cc1.CC(C)C1=CC=CCC1=O.CC(C)C1=CCC(=O)C=C1.CC(C)CC1CCCCC1.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1Cl.CC(C)c1cc[nH]c(=O)c1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1cccc(C(=O)O)c1.CC(C)c1cccc(S(=O)(=O)N(C)C)c1.CC(C)c1ccccc1.CNS(=O)(=O)c1ccc(C(C)C)cc1.COc1cc(C(C)C)ccn1.COc1ccccc1C(C)C.COc1ccccc1CC(C)C.COc1ccccc1NC(C)C.COc1ncccc1C(C)C.Cc1cccc(OC(C)C)c1C.Cc1ccccc1C(C)C.

What is the InChIKey of 1-chloro-4-(3-methylbutan-2-yloxy)benzene;1-chloro-2-(2-methylpropyl)benzene;cumene;2,3-dimethylbutane;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-propan-2-ylbenzenesulfonamide;1,2-dimethyl-3-propan-2-yloxybenzene;1-methoxy-2-(2-methylpropyl)benzene;2-methoxy-N-propan-2-ylaniline;1-methoxy-2-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;2-methoxy-4-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;2-methylpropylbenzene;2-methylpropylcyclohexane;3-propan-2-ylbenzoic acid;2-propan-2-ylcyclohexa-2,4-dien-1-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;4-propan-2-yl-1H-pyridin-2-one?

The InChIKey is FMDRIZPYHFMRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO.C11H17NO2S.C11H17N.2C11H16O.C10H13Cl.C10H15NO2S.C10H15NO.C10H12O2.C10H14O.C10H14.C10H20.C10H14.2C9H13NO.2C9H12O.C9H12.C8H11NO.C6H14/c1-8(2)9(3)13-11-6-4-10(12)5-7-11;1-9(2)10-6-5-7-11(8-10)15(13,14)12(3)4;1-9(2)10-5-7-11(8-6-10)12(3)4;1-8(2)12-11-7-5-6-9(3)10(11)4;1-9(2)8-10-6-4-5-7-11(10)12-3;1-8(2)7-9-5-3-4-6-10(9)11;1-8(2)9-4-6-10(7-5-9)14(12,13)11-3;1-8(2)11-9-6-4-5-7-10(9)12-3;1-7(2)8-4-3-5-9(6-8)10(11)12;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)10-7-5-4-6-9(10)3;2*1-9(2)8-10-6-4-3-5-7-10;1-7(2)8-4-5-10-9(6-8)11-3;1-7(2)8-5-4-6-10-9(8)11-3;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-4-9-8(10)5-7;1-5(2)6(3)4/h4-9H,1-3H3;5-9H,1-4H3;5-9H,1-4H3;5-8H,1-4H3;4-7,9H,8H2,1-3H3;3-6,8H,7H2,1-2H3;4-8,11H,1-3H3;4-8,11H,1-3H3;3-7H,1-2H3,(H,11,12);4-8H,1-3H3;4-8H,1-3H3;9-10H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;2*4-7H,1-3H3;2*3-5,7H,6H2,1-2H3;3-8H,1-2H3;3-6H,1-2H3,(H,9,10);5-6H,1-4H3.

What are the key properties of 1-chloro-4-(3-methylbutan-2-yloxy)benzene;1-chloro-2-(2-methylpropyl)benzene;cumene;2,3-dimethylbutane;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-propan-2-ylbenzenesulfonamide;1,2-dimethyl-3-propan-2-yloxybenzene;1-methoxy-2-(2-methylpropyl)benzene;2-methoxy-N-propan-2-ylaniline;1-methoxy-2-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;2-methoxy-4-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;2-methylpropylbenzene;2-methylpropylcyclohexane;3-propan-2-ylbenzoic acid;2-propan-2-ylcyclohexa-2,4-dien-1-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;4-propan-2-yl-1H-pyridin-2-one?

1-chloro-4-(3-methylbutan-2-yloxy)benzene;1-chloro-2-(2-methylpropyl)benzene;cumene;2,3-dimethylbutane;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-propan-2-ylbenzenesulfonamide;1,2-dimethyl-3-propan-2-yloxybenzene;1-methoxy-2-(2-methylpropyl)benzene;2-methoxy-N-propan-2-ylaniline;1-methoxy-2-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;2-methoxy-4-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;2-methylpropylbenzene;2-methylpropylcyclohexane;3-propan-2-ylbenzoic acid;2-propan-2-ylcyclohexa-2,4-dien-1-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;4-propan-2-yl-1H-pyridin-2-one has a molecular weight of 3106.49 g/mol, XLogP of 52.63, 39 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-4-(3-methylbutan-2-yloxy)benzene;1-chloro-2-(2-methylpropyl)benzene;cumene;2,3-dimethylbutane;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-propan-2-ylbenzenesulfonamide;1,2-dimethyl-3-propan-2-yloxybenzene;1-methoxy-2-(2-methylpropyl)benzene;2-methoxy-N-propan-2-ylaniline;1-methoxy-2-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;2-methoxy-4-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;2-methylpropylbenzene;2-methylpropylcyclohexane;3-propan-2-ylbenzoic acid;2-propan-2-ylcyclohexa-2,4-dien-1-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;4-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 158074034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).