1,2,3-trimethyl-4-propan-2-ylbenzene

C12H17- — CID 91264011

IUPAC1,2,3-trimethyl-4-propan-2-ylbenzene
SMILESCc1ccc([C-](C)C)c(C)c1C
InChIInChI=1S/C12H17/c1-8(2)12-7-6-9(3)10(4)11(12)5/h6-7H,1-5H3/q-1
InChIKeyURSKGUXLGOJIDQ-UHFFFAOYSA-N
MW161.27 g/mol
LogP3.57
Rot. Bonds1

About 1,2,3-trimethyl-4-propan-2-ylbenzene

1,2,3-trimethyl-4-propan-2-ylbenzene (PubChem CID 91264011) has the molecular formula C12H17- and a molecular weight of 161.27 g/mol. Its IUPAC name is 1,2,3-trimethyl-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1,2,3-trimethyl-4-propan-2-ylbenzene
PubChem CID91264011
Molecular FormulaC12H17-
Molecular Weight161.27 g/mol
Exact Mass161.13
IUPAC Name1,2,3-trimethyl-4-propan-2-ylbenzene
SMILESCc1ccc([C-](C)C)c(C)c1C
InChIInChI=1S/C12H17/c1-8(2)12-7-6-9(3)10(4)11(12)5/h6-7H,1-5H3/q-1
InChIKeyURSKGUXLGOJIDQ-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

ruthenium;1,2,3,4-tetramethylbenzene
CID 158325243
1-tert-butyl-2,3,4-trimethylbenzene
CID 19367867
(2,3,4-trimethylphenyl)phosphane
CID 19864163
1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene)
CID 158514008
CID 150814032
CID 150814032
1,2,4-trimethyl-3-(2,3,6-trimethylphenyl)benzene
CID 22967951
1,2,3-trimethyl-4-(2,3,4-trimethylphenyl)sulfanyloxysulfanylbenzene
CID 174547072
(2,3,4-trimethylphenyl)phosphane;hydrochloride
CID 173157555
1,2,3-trimethyl-4-[(2,3,4-trimethylphenyl)diselanyl]benzene
CID 155677375
lithium (2,3,4-trimethylphenyl)azanide
CID 141493779
N-(2,3,4-trimethylphenyl)propan-2-imine
CID 20769409
diphenyl-(2,3,4-trimethylphenyl)methanol
CID 139685459

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-4-propan-2-ylbenzene?
The IUPAC name of 1,2,3-trimethyl-4-propan-2-ylbenzene (CID 91264011) is 1,2,3-trimethyl-4-propan-2-ylbenzene.
What is the SMILES notation for 1,2,3-trimethyl-4-propan-2-ylbenzene?
The canonical SMILES for 1,2,3-trimethyl-4-propan-2-ylbenzene is Cc1ccc([C-](C)C)c(C)c1C.
What is the InChIKey of 1,2,3-trimethyl-4-propan-2-ylbenzene?
The InChIKey is URSKGUXLGOJIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17/c1-8(2)12-7-6-9(3)10(4)11(12)5/h6-7H,1-5H3/q-1.
What are the key properties of 1,2,3-trimethyl-4-propan-2-ylbenzene?
1,2,3-trimethyl-4-propan-2-ylbenzene has a molecular weight of 161.27 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-4-propan-2-ylbenzene is sourced from PubChem (CID 91264011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).