1-chloro-3-methyl-2,4-di(propan-2-yl)benzene;ethane

C15H25Cl — CID 155737833

IUPAC1-chloro-3-methyl-2,4-di(propan-2-yl)benzene;ethane
SMILESCC.Cc1c(C(C)C)ccc(Cl)c1C(C)C
InChIInChI=1S/C13H19Cl.C2H6/c1-8(2)11-6-7-12(14)13(9(3)4)10(11)5;1-2/h6-9H,1-5H3;1-2H3
InChIKeyAGXOGPLJMFJTGH-UHFFFAOYSA-N
MW240.82 g/mol
LogP5.92
Rot. Bonds2

About 1-chloro-3-methyl-2,4-di(propan-2-yl)benzene;ethane

1-chloro-3-methyl-2,4-di(propan-2-yl)benzene;ethane (PubChem CID 155737833) has the molecular formula C15H25Cl and a molecular weight of 240.82 g/mol. Its IUPAC name is 1-chloro-3-methyl-2,4-di(propan-2-yl)benzene;ethane.

Molecular Properties

Compound Name1-chloro-3-methyl-2,4-di(propan-2-yl)benzene;ethane
PubChem CID155737833
Molecular FormulaC15H25Cl
Molecular Weight240.82 g/mol
Exact Mass240.16
IUPAC Name1-chloro-3-methyl-2,4-di(propan-2-yl)benzene;ethane
SMILESCC.Cc1c(C(C)C)ccc(Cl)c1C(C)C
InChIInChI=1S/C13H19Cl.C2H6/c1-8(2)11-6-7-12(14)13(9(3)4)10(11)5;1-2/h6-9H,1-5H3;1-2H3
InChIKeyAGXOGPLJMFJTGH-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.82
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-chloro-3-methyl-2,4-di(propan-2-yl)benzene;ethane with MolForge

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

Launch Full Analysis

Related Compounds

1,3-dimethyl-2,4-di(propan-2-yl)benzene;ethane
CID 145387685
N-[3-chloro-2,6-di(propan-2-yl)phenyl]acetamide;ethane
CID 145387733
1-chloro-3-methyl-2-propan-2-ylbenzene
CID 20768951
2-chloro-4-methyl-1-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene
CID 164993906
1,3-dichloro-2-propan-2-ylbenzene
CID 14028117
3,6-dichloro-2-propan-2-ylaniline
CID 21336280
1-chloro-4-methyl-2-(5-methyl-2-propan-2-ylphenyl)benzene
CID 91389922
2,6-dichloro-3-propan-2-ylphenol
CID 174112447
4,6-dichloro-2-methyl-3-propan-2-ylphenol
CID 130033448
1-methyl-2,3,4-tri(propan-2-yl)benzene
CID 22369929
1-chloro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene
CID 158048784
1-chloro-2-(difluoromethyl)-3-propan-2-ylbenzene
CID 169127619

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methyl-2,4-di(propan-2-yl)benzene;ethane?
The IUPAC name of 1-chloro-3-methyl-2,4-di(propan-2-yl)benzene;ethane (CID 155737833) is 1-chloro-3-methyl-2,4-di(propan-2-yl)benzene;ethane.
What is the SMILES notation for 1-chloro-3-methyl-2,4-di(propan-2-yl)benzene;ethane?
The canonical SMILES for 1-chloro-3-methyl-2,4-di(propan-2-yl)benzene;ethane is CC.Cc1c(C(C)C)ccc(Cl)c1C(C)C.
What is the InChIKey of 1-chloro-3-methyl-2,4-di(propan-2-yl)benzene;ethane?
The InChIKey is AGXOGPLJMFJTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl.C2H6/c1-8(2)11-6-7-12(14)13(9(3)4)10(11)5;1-2/h6-9H,1-5H3;1-2H3.
What are the key properties of 1-chloro-3-methyl-2,4-di(propan-2-yl)benzene;ethane?
1-chloro-3-methyl-2,4-di(propan-2-yl)benzene;ethane has a molecular weight of 240.82 g/mol, XLogP of 5.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methyl-2,4-di(propan-2-yl)benzene;ethane is sourced from PubChem (CID 155737833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).