1-chloro-3-(2-methylpropyl)benzene;cumene;1,3-difluoro-5-(2-methylpropyl)benzene;N,N-dimethyl-3-(2-methylpropyl)benzamide;1-methoxy-3-(2-methylpropyl)benzene;1-methoxy-4-(2-methylpropyl)benzene;N-methyl-3-(2-methylpropyl)benzamide;1-methyl-3-(2-methylpropyl)benzene;3-(2-methylpropyl)benzamide;2-methylpropylbenzene;3-(2-methylpropyl)benzonitrile;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene

C151H203ClF8N4O6 — CID 159197365

IUPAC1-chloro-3-(2-methylpropyl)benzene;cumene;1,3-difluoro-5-(2-methylpropyl)benzene;N,N-dimethyl-3-(2-methylpropyl)benzamide;1-methoxy-3-(2-methylpropyl)benzene;1-methoxy-4-(2-methylpropyl)benzene;N-methyl-3-(2-methylpropyl)benzamide;1-methyl-3-(2-methylpropyl)benzene;3-(2-methylpropyl)benzamide;2-methylpropylbenzene;3-(2-methylpropyl)benzonitrile;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene
SMILESCC(C)Cc1cc(F)cc(F)c1.CC(C)Cc1ccc(C(F)(F)F)cc1.CC(C)Cc1cccc(C#N)c1.CC(C)Cc1cccc(C(=O)N(C)C)c1.CC(C)Cc1cccc(C(F)(F)F)c1.CC(C)Cc1cccc(C(N)=O)c1.CC(C)Cc1cccc(Cl)c1.CC(C)Cc1cccc(O)c1.CC(C)Cc1ccccc1.CC(C)c1ccccc1.CNC(=O)c1cccc(CC(C)C)c1.COc1ccc(CC(C)C)cc1.COc1cccc(CC(C)C)c1.Cc1cccc(CC(C)C)c1
InChIInChI=1S/C13H19NO.C12H17NO.2C11H13F3.C11H15NO.C11H13N.2C11H16O.C11H16.C10H13Cl.C10H12F2.C10H14O.C10H14.C9H12/c1-10(2)8-11-6-5-7-12(9-11)13(15)14(3)4;1-9(2)7-10-5-4-6-11(8-10)12(14)13-3;1-8(2)7-9-3-5-10(6-4-9)11(12,13)14;1-8(2)6-9-4-3-5-10(7-9)11(12,13)14;1-8(2)6-9-4-3-5-10(7-9)11(12)13;1-9(2)6-10-4-3-5-11(7-10)8-12;1-9(2)8-10-4-6-11(12-3)7-5-10;1-9(2)7-10-5-4-6-11(8-10)12-3;1-9(2)7-11-6-4-5-10(3)8-11;1-8(2)6-9-4-3-5-10(11)7-9;1-7(2)3-8-4-9(11)6-10(12)5-8;1-8(2)6-9-4-3-5-10(11)7-9;1-9(2)8-10-6-4-3-5-7-10;1-8(2)9-6-4-3-5-7-9/h5-7,9-10H,8H2,1-4H3;4-6,8-9H,7H2,1-3H3,(H,13,14);3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-5,7-8H,6H2,1-2H3,(H2,12,13);3-5,7,9H,6H2,1-2H3;4-7,9H,8H2,1-3H3;4-6,8-9H,7H2,1-3H3;4-6,8-9H,7H2,1-3H3;3-5,7-8H,6H2,1-2H3;4-7H,3H2,1-2H3;3-5,7-8,11H,6H2,1-2H3;3-7,9H,8H2,1-2H3;3-8H,1-2H3
InChIKeyKOVJBIQQFHILQC-UHFFFAOYSA-N
MW2357.74 g/mol
LogP41.35
Rot. Bonds32

About 1-chloro-3-(2-methylpropyl)benzene;cumene;1,3-difluoro-5-(2-methylpropyl)benzene;N,N-dimethyl-3-(2-methylpropyl)benzamide;1-methoxy-3-(2-methylpropyl)benzene;1-methoxy-4-(2-methylpropyl)benzene;N-methyl-3-(2-methylpropyl)benzamide;1-methyl-3-(2-methylpropyl)benzene;3-(2-methylpropyl)benzamide;2-methylpropylbenzene;3-(2-methylpropyl)benzonitrile;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene

1-chloro-3-(2-methylpropyl)benzene;cumene;1,3-difluoro-5-(2-methylpropyl)benzene;N,N-dimethyl-3-(2-methylpropyl)benzamide;1-methoxy-3-(2-methylpropyl)benzene;1-methoxy-4-(2-methylpropyl)benzene;N-methyl-3-(2-methylpropyl)benzamide;1-methyl-3-(2-methylpropyl)benzene;3-(2-methylpropyl)benzamide;2-methylpropylbenzene;3-(2-methylpropyl)benzonitrile;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene (PubChem CID 159197365) has the molecular formula C151H203ClF8N4O6 and a molecular weight of 2357.74 g/mol. Its IUPAC name is 1-chloro-3-(2-methylpropyl)benzene;cumene;1,3-difluoro-5-(2-methylpropyl)benzene;N,N-dimethyl-3-(2-methylpropyl)benzamide;1-methoxy-3-(2-methylpropyl)benzene;1-methoxy-4-(2-methylpropyl)benzene;N-methyl-3-(2-methylpropyl)benzamide;1-methyl-3-(2-methylpropyl)benzene;3-(2-methylpropyl)benzamide;2-methylpropylbenzene;3-(2-methylpropyl)benzonitrile;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-3-(2-methylpropyl)benzene;cumene;1,3-difluoro-5-(2-methylpropyl)benzene;N,N-dimethyl-3-(2-methylpropyl)benzamide;1-methoxy-3-(2-methylpropyl)benzene;1-methoxy-4-(2-methylpropyl)benzene;N-methyl-3-(2-methylpropyl)benzamide;1-methyl-3-(2-methylpropyl)benzene;3-(2-methylpropyl)benzamide;2-methylpropylbenzene;3-(2-methylpropyl)benzonitrile;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene
PubChem CID159197365
Molecular FormulaC151H203ClF8N4O6
Molecular Weight2357.74 g/mol
Exact Mass2355.53
IUPAC Name1-chloro-3-(2-methylpropyl)benzene;cumene;1,3-difluoro-5-(2-methylpropyl)benzene;N,N-dimethyl-3-(2-methylpropyl)benzamide;1-methoxy-3-(2-methylpropyl)benzene;1-methoxy-4-(2-methylpropyl)benzene;N-methyl-3-(2-methylpropyl)benzamide;1-methyl-3-(2-methylpropyl)benzene;3-(2-methylpropyl)benzamide;2-methylpropylbenzene;3-(2-methylpropyl)benzonitrile;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene
SMILESCC(C)Cc1cc(F)cc(F)c1.CC(C)Cc1ccc(C(F)(F)F)cc1.CC(C)Cc1cccc(C#N)c1.CC(C)Cc1cccc(C(=O)N(C)C)c1.CC(C)Cc1cccc(C(F)(F)F)c1.CC(C)Cc1cccc(C(N)=O)c1.CC(C)Cc1cccc(Cl)c1.CC(C)Cc1cccc(O)c1.CC(C)Cc1ccccc1.CC(C)c1ccccc1.CNC(=O)c1cccc(CC(C)C)c1.COc1ccc(CC(C)C)cc1.COc1cccc(CC(C)C)c1.Cc1cccc(CC(C)C)c1
InChIInChI=1S/C13H19NO.C12H17NO.2C11H13F3.C11H15NO.C11H13N.2C11H16O.C11H16.C10H13Cl.C10H12F2.C10H14O.C10H14.C9H12/c1-10(2)8-11-6-5-7-12(9-11)13(15)14(3)4;1-9(2)7-10-5-4-6-11(8-10)12(14)13-3;1-8(2)7-9-3-5-10(6-4-9)11(12,13)14;1-8(2)6-9-4-3-5-10(7-9)11(12,13)14;1-8(2)6-9-4-3-5-10(7-9)11(12)13;1-9(2)6-10-4-3-5-11(7-10)8-12;1-9(2)8-10-4-6-11(12-3)7-5-10;1-9(2)7-10-5-4-6-11(8-10)12-3;1-9(2)7-11-6-4-5-10(3)8-11;1-8(2)6-9-4-3-5-10(11)7-9;1-7(2)3-8-4-9(11)6-10(12)5-8;1-8(2)6-9-4-3-5-10(11)7-9;1-9(2)8-10-6-4-3-5-7-10;1-8(2)9-6-4-3-5-7-9/h5-7,9-10H,8H2,1-4H3;4-6,8-9H,7H2,1-3H3,(H,13,14);3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-5,7-8H,6H2,1-2H3,(H2,12,13);3-5,7,9H,6H2,1-2H3;4-7,9H,8H2,1-3H3;4-6,8-9H,7H2,1-3H3;4-6,8-9H,7H2,1-3H3;3-5,7-8H,6H2,1-2H3;4-7H,3H2,1-2H3;3-5,7-8,11H,6H2,1-2H3;3-7,9H,8H2,1-2H3;3-8H,1-2H3
InChIKeyKOVJBIQQFHILQC-UHFFFAOYSA-N
XLogP41.35
TPSA154.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds32
Heavy Atoms170
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002357.74
LogP ≤ 541.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-chloro-3-(2-methylpropyl)benzene;cumene;1,3-difluoro-5-(2-methylpropyl)benzene;N,N-dimethyl-3-(2-methylpropyl)benzamide;1-methoxy-3-(2-methylpropyl)benzene;1-methoxy-4-(2-methylpropyl)benzene;N-methyl-3-(2-methylpropyl)benzamide;1-methyl-3-(2-methylpropyl)benzene;3-(2-methylpropyl)benzamide;2-methylpropylbenzene;3-(2-methylpropyl)benzonitrile;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-methylpropyl)benzene;cumene;1,3-difluoro-5-(2-methylpropyl)benzene;N,N-dimethyl-3-(2-methylpropyl)benzamide;1-methoxy-3-(2-methylpropyl)benzene;1-methoxy-4-(2-methylpropyl)benzene;N-methyl-3-(2-methylpropyl)benzamide;1-methyl-3-(2-methylpropyl)benzene;3-(2-methylpropyl)benzamide;2-methylpropylbenzene;3-(2-methylpropyl)benzonitrile;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-3-(2-methylpropyl)benzene;cumene;1,3-difluoro-5-(2-methylpropyl)benzene;N,N-dimethyl-3-(2-methylpropyl)benzamide;1-methoxy-3-(2-methylpropyl)benzene;1-methoxy-4-(2-methylpropyl)benzene;N-methyl-3-(2-methylpropyl)benzamide;1-methyl-3-(2-methylpropyl)benzene;3-(2-methylpropyl)benzamide;2-methylpropylbenzene;3-(2-methylpropyl)benzonitrile;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene (CID 159197365) is 1-chloro-3-(2-methylpropyl)benzene;cumene;1,3-difluoro-5-(2-methylpropyl)benzene;N,N-dimethyl-3-(2-methylpropyl)benzamide;1-methoxy-3-(2-methylpropyl)benzene;1-methoxy-4-(2-methylpropyl)benzene;N-methyl-3-(2-methylpropyl)benzamide;1-methyl-3-(2-methylpropyl)benzene;3-(2-methylpropyl)benzamide;2-methylpropylbenzene;3-(2-methylpropyl)benzonitrile;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-3-(2-methylpropyl)benzene;cumene;1,3-difluoro-5-(2-methylpropyl)benzene;N,N-dimethyl-3-(2-methylpropyl)benzamide;1-methoxy-3-(2-methylpropyl)benzene;1-methoxy-4-(2-methylpropyl)benzene;N-methyl-3-(2-methylpropyl)benzamide;1-methyl-3-(2-methylpropyl)benzene;3-(2-methylpropyl)benzamide;2-methylpropylbenzene;3-(2-methylpropyl)benzonitrile;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-3-(2-methylpropyl)benzene;cumene;1,3-difluoro-5-(2-methylpropyl)benzene;N,N-dimethyl-3-(2-methylpropyl)benzamide;1-methoxy-3-(2-methylpropyl)benzene;1-methoxy-4-(2-methylpropyl)benzene;N-methyl-3-(2-methylpropyl)benzamide;1-methyl-3-(2-methylpropyl)benzene;3-(2-methylpropyl)benzamide;2-methylpropylbenzene;3-(2-methylpropyl)benzonitrile;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene is CC(C)Cc1cc(F)cc(F)c1.CC(C)Cc1ccc(C(F)(F)F)cc1.CC(C)Cc1cccc(C#N)c1.CC(C)Cc1cccc(C(=O)N(C)C)c1.CC(C)Cc1cccc(C(F)(F)F)c1.CC(C)Cc1cccc(C(N)=O)c1.CC(C)Cc1cccc(Cl)c1.CC(C)Cc1cccc(O)c1.CC(C)Cc1ccccc1.CC(C)c1ccccc1.CNC(=O)c1cccc(CC(C)C)c1.COc1ccc(CC(C)C)cc1.COc1cccc(CC(C)C)c1.Cc1cccc(CC(C)C)c1.
What is the InChIKey of 1-chloro-3-(2-methylpropyl)benzene;cumene;1,3-difluoro-5-(2-methylpropyl)benzene;N,N-dimethyl-3-(2-methylpropyl)benzamide;1-methoxy-3-(2-methylpropyl)benzene;1-methoxy-4-(2-methylpropyl)benzene;N-methyl-3-(2-methylpropyl)benzamide;1-methyl-3-(2-methylpropyl)benzene;3-(2-methylpropyl)benzamide;2-methylpropylbenzene;3-(2-methylpropyl)benzonitrile;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene?
The InChIKey is KOVJBIQQFHILQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.C12H17NO.2C11H13F3.C11H15NO.C11H13N.2C11H16O.C11H16.C10H13Cl.C10H12F2.C10H14O.C10H14.C9H12/c1-10(2)8-11-6-5-7-12(9-11)13(15)14(3)4;1-9(2)7-10-5-4-6-11(8-10)12(14)13-3;1-8(2)7-9-3-5-10(6-4-9)11(12,13)14;1-8(2)6-9-4-3-5-10(7-9)11(12,13)14;1-8(2)6-9-4-3-5-10(7-9)11(12)13;1-9(2)6-10-4-3-5-11(7-10)8-12;1-9(2)8-10-4-6-11(12-3)7-5-10;1-9(2)7-10-5-4-6-11(8-10)12-3;1-9(2)7-11-6-4-5-10(3)8-11;1-8(2)6-9-4-3-5-10(11)7-9;1-7(2)3-8-4-9(11)6-10(12)5-8;1-8(2)6-9-4-3-5-10(11)7-9;1-9(2)8-10-6-4-3-5-7-10;1-8(2)9-6-4-3-5-7-9/h5-7,9-10H,8H2,1-4H3;4-6,8-9H,7H2,1-3H3,(H,13,14);3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-5,7-8H,6H2,1-2H3,(H2,12,13);3-5,7,9H,6H2,1-2H3;4-7,9H,8H2,1-3H3;4-6,8-9H,7H2,1-3H3;4-6,8-9H,7H2,1-3H3;3-5,7-8H,6H2,1-2H3;4-7H,3H2,1-2H3;3-5,7-8,11H,6H2,1-2H3;3-7,9H,8H2,1-2H3;3-8H,1-2H3.
What are the key properties of 1-chloro-3-(2-methylpropyl)benzene;cumene;1,3-difluoro-5-(2-methylpropyl)benzene;N,N-dimethyl-3-(2-methylpropyl)benzamide;1-methoxy-3-(2-methylpropyl)benzene;1-methoxy-4-(2-methylpropyl)benzene;N-methyl-3-(2-methylpropyl)benzamide;1-methyl-3-(2-methylpropyl)benzene;3-(2-methylpropyl)benzamide;2-methylpropylbenzene;3-(2-methylpropyl)benzonitrile;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene?
1-chloro-3-(2-methylpropyl)benzene;cumene;1,3-difluoro-5-(2-methylpropyl)benzene;N,N-dimethyl-3-(2-methylpropyl)benzamide;1-methoxy-3-(2-methylpropyl)benzene;1-methoxy-4-(2-methylpropyl)benzene;N-methyl-3-(2-methylpropyl)benzamide;1-methyl-3-(2-methylpropyl)benzene;3-(2-methylpropyl)benzamide;2-methylpropylbenzene;3-(2-methylpropyl)benzonitrile;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene has a molecular weight of 2357.74 g/mol, XLogP of 41.35, 32 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-methylpropyl)benzene;cumene;1,3-difluoro-5-(2-methylpropyl)benzene;N,N-dimethyl-3-(2-methylpropyl)benzamide;1-methoxy-3-(2-methylpropyl)benzene;1-methoxy-4-(2-methylpropyl)benzene;N-methyl-3-(2-methylpropyl)benzamide;1-methyl-3-(2-methylpropyl)benzene;3-(2-methylpropyl)benzamide;2-methylpropylbenzene;3-(2-methylpropyl)benzonitrile;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 159197365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).