1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1-(cyclopropylmethyl)-3-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;methane;2-methyl-4-propan-2-ylbenzamide;tetrakis(1-methyl-3-propan-2-ylbenzene);1-phenylmethoxy-3-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene

C156H216Cl2F4N2O5 — CID 158004108

IUPAC1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1-(cyclopropylmethyl)-3-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;methane;2-methyl-4-propan-2-ylbenzamide;tetrakis(1-methyl-3-propan-2-ylbenzene);1-phenylmethoxy-3-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene
SMILESC.C.C.CC(C)Oc1ccc(C(C)C)cc1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1cccc(C(=O)N(C)C)c1.CC(C)c1cccc(CC2CC2)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(OCc2ccccc2)c1.Cc1cc(C(C)C)ccc1C(N)=O.Cc1cc(C(C)C)ccc1F.Cc1cc(C)cc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1
InChIInChI=1S/C16H18O.C13H18.C12H17NO.C12H18O.C11H15NO.C11H16.C10H11F3O.C10H13F.4C10H14.2C9H11Cl.3CH4/c1-13(2)15-9-6-10-16(11-15)17-12-14-7-4-3-5-8-14;1-10(2)13-5-3-4-12(9-13)8-11-6-7-11;1-9(2)10-6-5-7-11(8-10)12(14)13(3)4;1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-7(2)9-4-5-10(11(12)13)8(3)6-9;1-8(2)11-6-9(3)5-10(4)7-11;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)9-4-5-10(11)8(3)6-9;4*1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;;;/h3-11,13H,12H2,1-2H3;3-5,9-11H,6-8H2,1-2H3;5-9H,1-4H3;5-10H,1-4H3;4-7H,1-3H3,(H2,12,13);5-8H,1-4H3;3-7H,1-2H3;4-7H,1-3H3;4*4-8H,1-3H3;2*3-7H,1-2H3;3*1H4
InChIKeyFEBRHYZFLBXBFJ-UHFFFAOYSA-N
MW2346.35 g/mol
LogP48.18
Rot. Bonds24

About 1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1-(cyclopropylmethyl)-3-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;methane;2-methyl-4-propan-2-ylbenzamide;tetrakis(1-methyl-3-propan-2-ylbenzene);1-phenylmethoxy-3-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene

1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1-(cyclopropylmethyl)-3-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;methane;2-methyl-4-propan-2-ylbenzamide;tetrakis(1-methyl-3-propan-2-ylbenzene);1-phenylmethoxy-3-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene (PubChem CID 158004108) has the molecular formula C156H216Cl2F4N2O5 and a molecular weight of 2346.35 g/mol. Its IUPAC name is 1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1-(cyclopropylmethyl)-3-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;methane;2-methyl-4-propan-2-ylbenzamide;tetrakis(1-methyl-3-propan-2-ylbenzene);1-phenylmethoxy-3-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1-(cyclopropylmethyl)-3-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;methane;2-methyl-4-propan-2-ylbenzamide;tetrakis(1-methyl-3-propan-2-ylbenzene);1-phenylmethoxy-3-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene
PubChem CID158004108
Molecular FormulaC156H216Cl2F4N2O5
Molecular Weight2346.35 g/mol
Exact Mass2343.60
IUPAC Name1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1-(cyclopropylmethyl)-3-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;methane;2-methyl-4-propan-2-ylbenzamide;tetrakis(1-methyl-3-propan-2-ylbenzene);1-phenylmethoxy-3-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene
SMILESC.C.C.CC(C)Oc1ccc(C(C)C)cc1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1cccc(C(=O)N(C)C)c1.CC(C)c1cccc(CC2CC2)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(OCc2ccccc2)c1.Cc1cc(C(C)C)ccc1C(N)=O.Cc1cc(C(C)C)ccc1F.Cc1cc(C)cc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1
InChIInChI=1S/C16H18O.C13H18.C12H17NO.C12H18O.C11H15NO.C11H16.C10H11F3O.C10H13F.4C10H14.2C9H11Cl.3CH4/c1-13(2)15-9-6-10-16(11-15)17-12-14-7-4-3-5-8-14;1-10(2)13-5-3-4-12(9-13)8-11-6-7-11;1-9(2)10-6-5-7-11(8-10)12(14)13(3)4;1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-7(2)9-4-5-10(11(12)13)8(3)6-9;1-8(2)11-6-9(3)5-10(4)7-11;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)9-4-5-10(11)8(3)6-9;4*1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;;;/h3-11,13H,12H2,1-2H3;3-5,9-11H,6-8H2,1-2H3;5-9H,1-4H3;5-10H,1-4H3;4-7H,1-3H3,(H2,12,13);5-8H,1-4H3;3-7H,1-2H3;4-7H,1-3H3;4*4-8H,1-3H3;2*3-7H,1-2H3;3*1H4
InChIKeyFEBRHYZFLBXBFJ-UHFFFAOYSA-N
XLogP48.18
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms169
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002346.35
LogP ≤ 548.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1-(cyclopropylmethyl)-3-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;methane;2-methyl-4-propan-2-ylbenzamide;tetrakis(1-methyl-3-propan-2-ylbenzene);1-phenylmethoxy-3-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene 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-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1-(cyclopropylmethyl)-3-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;methane;2-methyl-4-propan-2-ylbenzamide;tetrakis(1-methyl-3-propan-2-ylbenzene);1-phenylmethoxy-3-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene?
The IUPAC name of 1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1-(cyclopropylmethyl)-3-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;methane;2-methyl-4-propan-2-ylbenzamide;tetrakis(1-methyl-3-propan-2-ylbenzene);1-phenylmethoxy-3-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene (CID 158004108) is 1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1-(cyclopropylmethyl)-3-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;methane;2-methyl-4-propan-2-ylbenzamide;tetrakis(1-methyl-3-propan-2-ylbenzene);1-phenylmethoxy-3-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1-(cyclopropylmethyl)-3-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;methane;2-methyl-4-propan-2-ylbenzamide;tetrakis(1-methyl-3-propan-2-ylbenzene);1-phenylmethoxy-3-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1-(cyclopropylmethyl)-3-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;methane;2-methyl-4-propan-2-ylbenzamide;tetrakis(1-methyl-3-propan-2-ylbenzene);1-phenylmethoxy-3-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene is C.C.C.CC(C)Oc1ccc(C(C)C)cc1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1cccc(C(=O)N(C)C)c1.CC(C)c1cccc(CC2CC2)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(OCc2ccccc2)c1.Cc1cc(C(C)C)ccc1C(N)=O.Cc1cc(C(C)C)ccc1F.Cc1cc(C)cc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.
What is the InChIKey of 1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1-(cyclopropylmethyl)-3-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;methane;2-methyl-4-propan-2-ylbenzamide;tetrakis(1-methyl-3-propan-2-ylbenzene);1-phenylmethoxy-3-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene?
The InChIKey is FEBRHYZFLBXBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O.C13H18.C12H17NO.C12H18O.C11H15NO.C11H16.C10H11F3O.C10H13F.4C10H14.2C9H11Cl.3CH4/c1-13(2)15-9-6-10-16(11-15)17-12-14-7-4-3-5-8-14;1-10(2)13-5-3-4-12(9-13)8-11-6-7-11;1-9(2)10-6-5-7-11(8-10)12(14)13(3)4;1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-7(2)9-4-5-10(11(12)13)8(3)6-9;1-8(2)11-6-9(3)5-10(4)7-11;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)9-4-5-10(11)8(3)6-9;4*1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;;;/h3-11,13H,12H2,1-2H3;3-5,9-11H,6-8H2,1-2H3;5-9H,1-4H3;5-10H,1-4H3;4-7H,1-3H3,(H2,12,13);5-8H,1-4H3;3-7H,1-2H3;4-7H,1-3H3;4*4-8H,1-3H3;2*3-7H,1-2H3;3*1H4.
What are the key properties of 1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1-(cyclopropylmethyl)-3-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;methane;2-methyl-4-propan-2-ylbenzamide;tetrakis(1-methyl-3-propan-2-ylbenzene);1-phenylmethoxy-3-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene?
1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1-(cyclopropylmethyl)-3-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;methane;2-methyl-4-propan-2-ylbenzamide;tetrakis(1-methyl-3-propan-2-ylbenzene);1-phenylmethoxy-3-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene has a molecular weight of 2346.35 g/mol, XLogP of 48.18, 24 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1-(cyclopropylmethyl)-3-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;methane;2-methyl-4-propan-2-ylbenzamide;tetrakis(1-methyl-3-propan-2-ylbenzene);1-phenylmethoxy-3-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 158004108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).