1-ethyl-2,3-dimethyl-4-propan-2-ylbenzene

C13H20 — CID 145053588

IUPAC1-ethyl-2,3-dimethyl-4-propan-2-ylbenzene
SMILESCCc1ccc(C(C)C)c(C)c1C
InChIInChI=1S/C13H20/c1-6-12-7-8-13(9(2)3)11(5)10(12)4/h7-9H,6H2,1-5H3
InChIKeyAARYVCVZQZFKCP-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.99
Rot. Bonds2

About 1-ethyl-2,3-dimethyl-4-propan-2-ylbenzene

1-ethyl-2,3-dimethyl-4-propan-2-ylbenzene (PubChem CID 145053588) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 1-ethyl-2,3-dimethyl-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-ethyl-2,3-dimethyl-4-propan-2-ylbenzene
PubChem CID145053588
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name1-ethyl-2,3-dimethyl-4-propan-2-ylbenzene
SMILESCCc1ccc(C(C)C)c(C)c1C
InChIInChI=1S/C13H20/c1-6-12-7-8-13(9(2)3)11(5)10(12)4/h7-9H,6H2,1-5H3
InChIKeyAARYVCVZQZFKCP-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-ethyl-2,3-dimethyl-4-propan-2-ylbenzene 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-(1-bromoethyl)-4-ethyl-2,3-dimethylbenzene
CID 174819703
1-(hydroperoxymethyl)-2,3-dimethyl-4-propan-2-ylbenzene
CID 88802357
ethene;1-(4-ethyl-2,3-dimethylphenyl)-N,N-dimethylethanamine;methanimine
CID 143623031
1-ethyl-2,3-dimethyl-4-propylbenzene
CID 86110138
azane;1-(chloromethyl)-4-ethyl-2,3-dimethylbenzene
CID 66619297
1-ethyl-5-methyl-2,4-di(propan-2-yl)benzene
CID 18711823
7-ethyl-4-propan-2-yl-2,1,3-benzothiadiazole;propane
CID 145347002
2-(3-aminopropyl)-6-ethyl-3-propan-2-ylphenol
CID 117316995
2,3-dimethyl-4-propan-2-ylbenzamide
CID 154461721
4-ethyl-7-propan-2-yl-1,3-benzothiazole
CID 130378060
2-ethyl-4-isocyano-1-propan-2-ylbenzene
CID 58826858
1,5-bis(3-hydroxy-2-methyl-4-propan-2-ylphenyl)pentan-3-one
CID 140967853

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-dimethyl-4-propan-2-ylbenzene?
The IUPAC name of 1-ethyl-2,3-dimethyl-4-propan-2-ylbenzene (CID 145053588) is 1-ethyl-2,3-dimethyl-4-propan-2-ylbenzene.
What is the SMILES notation for 1-ethyl-2,3-dimethyl-4-propan-2-ylbenzene?
The canonical SMILES for 1-ethyl-2,3-dimethyl-4-propan-2-ylbenzene is CCc1ccc(C(C)C)c(C)c1C.
What is the InChIKey of 1-ethyl-2,3-dimethyl-4-propan-2-ylbenzene?
The InChIKey is AARYVCVZQZFKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-6-12-7-8-13(9(2)3)11(5)10(12)4/h7-9H,6H2,1-5H3.
What are the key properties of 1-ethyl-2,3-dimethyl-4-propan-2-ylbenzene?
1-ethyl-2,3-dimethyl-4-propan-2-ylbenzene has a molecular weight of 176.30 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-dimethyl-4-propan-2-ylbenzene is sourced from PubChem (CID 145053588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).