1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;2-chloro-1,4-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methyl-2-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-2-(2-methylpropoxy)benzene;1-methyl-2-phenoxybenzene;1-methyl-2-propan-2-yloxybenzene;1-methyl-2-propoxybenzene;N,N,3-trimethylaniline;1,2,4-trimethylbenzene;1,2-xylene

C151H204ClNO8 — CID 159578970

IUPAC1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;2-chloro-1,4-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methyl-2-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-2-(2-methylpropoxy)benzene;1-methyl-2-phenoxybenzene;1-methyl-2-propan-2-yloxybenzene;1-methyl-2-propoxybenzene;N,N,3-trimethylaniline;1,2,4-trimethylbenzene;1,2-xylene
SMILESCCCOc1ccccc1C.COc1cc(C)ccc1C.COc1cccc(C)c1.Cc1ccc(C(C)(C)C)c(C)c1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(Cl)c1.Cc1ccc(OC(C)(C)C)cc1.Cc1cccc(N(C)C)c1.Cc1ccccc1C.Cc1ccccc1C(C)(C)C.Cc1ccccc1OC(C)(C)C.Cc1ccccc1OC(C)C.Cc1ccccc1OCC(C)C.Cc1ccccc1Oc1ccccc1
InChIInChI=1S/C13H12O.C12H18.3C11H16O.2C11H16.2C10H14O.C9H13N.C9H12O.C9H12.C8H9Cl.C8H10O.C8H10/c1-11-7-5-6-10-13(11)14-12-8-3-2-4-9-12;1-9-6-7-11(10(2)8-9)12(3,4)5;1-9-5-7-10(8-6-9)12-11(2,3)4;1-9-7-5-6-8-10(9)12-11(2,3)4;1-9(2)8-12-11-7-5-4-6-10(11)3;1-9-5-7-10(8-6-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;1-8(2)11-10-7-5-4-6-9(10)3;1-3-8-11-10-7-5-4-6-9(10)2;1-8-5-4-6-9(7-8)10(2)3;1-7-4-5-8(2)9(6-7)10-3;1-7-4-5-8(2)9(3)6-7;1-6-3-4-7(2)8(9)5-6;1-7-4-3-5-8(6-7)9-2;1-7-5-3-4-6-8(7)2/h2-10H,1H3;6-8H,1-5H3;2*5-8H,1-4H3;4-7,9H,8H2,1-3H3;2*5-8H,1-4H3;4-8H,1-3H3;4-7H,3,8H2,1-2H3;4-7H,1-3H3;4-6H,1-3H3;4-6H,1-3H3;3-5H,1-2H3;3-6H,1-2H3;3-6H,1-2H3
InChIKeyMITNOENIBBDEJX-UHFFFAOYSA-N
MW2196.74 g/mol
LogP43.16
Rot. Bonds15

About 1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;2-chloro-1,4-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methyl-2-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-2-(2-methylpropoxy)benzene;1-methyl-2-phenoxybenzene;1-methyl-2-propan-2-yloxybenzene;1-methyl-2-propoxybenzene;N,N,3-trimethylaniline;1,2,4-trimethylbenzene;1,2-xylene

1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;2-chloro-1,4-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methyl-2-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-2-(2-methylpropoxy)benzene;1-methyl-2-phenoxybenzene;1-methyl-2-propan-2-yloxybenzene;1-methyl-2-propoxybenzene;N,N,3-trimethylaniline;1,2,4-trimethylbenzene;1,2-xylene (PubChem CID 159578970) has the molecular formula C151H204ClNO8 and a molecular weight of 2196.74 g/mol. Its IUPAC name is 1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;2-chloro-1,4-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methyl-2-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-2-(2-methylpropoxy)benzene;1-methyl-2-phenoxybenzene;1-methyl-2-propan-2-yloxybenzene;1-methyl-2-propoxybenzene;N,N,3-trimethylaniline;1,2,4-trimethylbenzene;1,2-xylene.

Molecular Properties

Compound Name1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;2-chloro-1,4-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methyl-2-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-2-(2-methylpropoxy)benzene;1-methyl-2-phenoxybenzene;1-methyl-2-propan-2-yloxybenzene;1-methyl-2-propoxybenzene;N,N,3-trimethylaniline;1,2,4-trimethylbenzene;1,2-xylene
PubChem CID159578970
Molecular FormulaC151H204ClNO8
Molecular Weight2196.74 g/mol
Exact Mass2194.53
IUPAC Name1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;2-chloro-1,4-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methyl-2-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-2-(2-methylpropoxy)benzene;1-methyl-2-phenoxybenzene;1-methyl-2-propan-2-yloxybenzene;1-methyl-2-propoxybenzene;N,N,3-trimethylaniline;1,2,4-trimethylbenzene;1,2-xylene
SMILESCCCOc1ccccc1C.COc1cc(C)ccc1C.COc1cccc(C)c1.Cc1ccc(C(C)(C)C)c(C)c1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(Cl)c1.Cc1ccc(OC(C)(C)C)cc1.Cc1cccc(N(C)C)c1.Cc1ccccc1C.Cc1ccccc1C(C)(C)C.Cc1ccccc1OC(C)(C)C.Cc1ccccc1OC(C)C.Cc1ccccc1OCC(C)C.Cc1ccccc1Oc1ccccc1
InChIInChI=1S/C13H12O.C12H18.3C11H16O.2C11H16.2C10H14O.C9H13N.C9H12O.C9H12.C8H9Cl.C8H10O.C8H10/c1-11-7-5-6-10-13(11)14-12-8-3-2-4-9-12;1-9-6-7-11(10(2)8-9)12(3,4)5;1-9-5-7-10(8-6-9)12-11(2,3)4;1-9-7-5-6-8-10(9)12-11(2,3)4;1-9(2)8-12-11-7-5-4-6-10(11)3;1-9-5-7-10(8-6-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;1-8(2)11-10-7-5-4-6-9(10)3;1-3-8-11-10-7-5-4-6-9(10)2;1-8-5-4-6-9(7-8)10(2)3;1-7-4-5-8(2)9(6-7)10-3;1-7-4-5-8(2)9(3)6-7;1-6-3-4-7(2)8(9)5-6;1-7-4-3-5-8(6-7)9-2;1-7-5-3-4-6-8(7)2/h2-10H,1H3;6-8H,1-5H3;2*5-8H,1-4H3;4-7,9H,8H2,1-3H3;2*5-8H,1-4H3;4-8H,1-3H3;4-7H,3,8H2,1-2H3;4-7H,1-3H3;4-6H,1-3H3;4-6H,1-3H3;3-5H,1-2H3;3-6H,1-2H3;3-6H,1-2H3
InChIKeyMITNOENIBBDEJX-UHFFFAOYSA-N
XLogP43.16
TPSA77.08 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms161
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002196.74
LogP ≤ 543.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;2-chloro-1,4-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methyl-2-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-2-(2-methylpropoxy)benzene;1-methyl-2-phenoxybenzene;1-methyl-2-propan-2-yloxybenzene;1-methyl-2-propoxybenzene;N,N,3-trimethylaniline;1,2,4-trimethylbenzene;1,2-xylene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;2-chloro-1,4-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methyl-2-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-2-(2-methylpropoxy)benzene;1-methyl-2-phenoxybenzene;1-methyl-2-propan-2-yloxybenzene;1-methyl-2-propoxybenzene;N,N,3-trimethylaniline;1,2,4-trimethylbenzene;1,2-xylene?
The IUPAC name of 1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;2-chloro-1,4-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methyl-2-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-2-(2-methylpropoxy)benzene;1-methyl-2-phenoxybenzene;1-methyl-2-propan-2-yloxybenzene;1-methyl-2-propoxybenzene;N,N,3-trimethylaniline;1,2,4-trimethylbenzene;1,2-xylene (CID 159578970) is 1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;2-chloro-1,4-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methyl-2-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-2-(2-methylpropoxy)benzene;1-methyl-2-phenoxybenzene;1-methyl-2-propan-2-yloxybenzene;1-methyl-2-propoxybenzene;N,N,3-trimethylaniline;1,2,4-trimethylbenzene;1,2-xylene.
What is the SMILES notation for 1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;2-chloro-1,4-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methyl-2-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-2-(2-methylpropoxy)benzene;1-methyl-2-phenoxybenzene;1-methyl-2-propan-2-yloxybenzene;1-methyl-2-propoxybenzene;N,N,3-trimethylaniline;1,2,4-trimethylbenzene;1,2-xylene?
The canonical SMILES for 1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;2-chloro-1,4-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methyl-2-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-2-(2-methylpropoxy)benzene;1-methyl-2-phenoxybenzene;1-methyl-2-propan-2-yloxybenzene;1-methyl-2-propoxybenzene;N,N,3-trimethylaniline;1,2,4-trimethylbenzene;1,2-xylene is CCCOc1ccccc1C.COc1cc(C)ccc1C.COc1cccc(C)c1.Cc1ccc(C(C)(C)C)c(C)c1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(Cl)c1.Cc1ccc(OC(C)(C)C)cc1.Cc1cccc(N(C)C)c1.Cc1ccccc1C.Cc1ccccc1C(C)(C)C.Cc1ccccc1OC(C)(C)C.Cc1ccccc1OC(C)C.Cc1ccccc1OCC(C)C.Cc1ccccc1Oc1ccccc1.
What is the InChIKey of 1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;2-chloro-1,4-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methyl-2-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-2-(2-methylpropoxy)benzene;1-methyl-2-phenoxybenzene;1-methyl-2-propan-2-yloxybenzene;1-methyl-2-propoxybenzene;N,N,3-trimethylaniline;1,2,4-trimethylbenzene;1,2-xylene?
The InChIKey is MITNOENIBBDEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O.C12H18.3C11H16O.2C11H16.2C10H14O.C9H13N.C9H12O.C9H12.C8H9Cl.C8H10O.C8H10/c1-11-7-5-6-10-13(11)14-12-8-3-2-4-9-12;1-9-6-7-11(10(2)8-9)12(3,4)5;1-9-5-7-10(8-6-9)12-11(2,3)4;1-9-7-5-6-8-10(9)12-11(2,3)4;1-9(2)8-12-11-7-5-4-6-10(11)3;1-9-5-7-10(8-6-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;1-8(2)11-10-7-5-4-6-9(10)3;1-3-8-11-10-7-5-4-6-9(10)2;1-8-5-4-6-9(7-8)10(2)3;1-7-4-5-8(2)9(6-7)10-3;1-7-4-5-8(2)9(3)6-7;1-6-3-4-7(2)8(9)5-6;1-7-4-3-5-8(6-7)9-2;1-7-5-3-4-6-8(7)2/h2-10H,1H3;6-8H,1-5H3;2*5-8H,1-4H3;4-7,9H,8H2,1-3H3;2*5-8H,1-4H3;4-8H,1-3H3;4-7H,3,8H2,1-2H3;4-7H,1-3H3;4-6H,1-3H3;4-6H,1-3H3;3-5H,1-2H3;3-6H,1-2H3;3-6H,1-2H3.
What are the key properties of 1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;2-chloro-1,4-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methyl-2-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-2-(2-methylpropoxy)benzene;1-methyl-2-phenoxybenzene;1-methyl-2-propan-2-yloxybenzene;1-methyl-2-propoxybenzene;N,N,3-trimethylaniline;1,2,4-trimethylbenzene;1,2-xylene?
1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;2-chloro-1,4-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methyl-2-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-2-(2-methylpropoxy)benzene;1-methyl-2-phenoxybenzene;1-methyl-2-propan-2-yloxybenzene;1-methyl-2-propoxybenzene;N,N,3-trimethylaniline;1,2,4-trimethylbenzene;1,2-xylene has a molecular weight of 2196.74 g/mol, XLogP of 43.16, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;2-chloro-1,4-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methyl-2-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-2-(2-methylpropoxy)benzene;1-methyl-2-phenoxybenzene;1-methyl-2-propan-2-yloxybenzene;1-methyl-2-propoxybenzene;N,N,3-trimethylaniline;1,2,4-trimethylbenzene;1,2-xylene is sourced from PubChem (CID 159578970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).