1-methyl-3-propan-2-ylbenzene

C10H14 — CID 10812

IUPAC1-methyl-3-propan-2-ylbenzene
SMILESCc1cccc(C(C)C)c1
InChIInChI=1S/C10H14/c1-8(2)10-6-4-5-9(3)7-10/h4-8H,1-3H3
InChIKeyXCYJPXQACVEIOS-UHFFFAOYSA-N
MW134.22 g/mol
LogP3.12
Rot. Bonds1

About 1-methyl-3-propan-2-ylbenzene

1-methyl-3-propan-2-ylbenzene (PubChem CID 10812) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 1-methyl-3-propan-2-ylbenzene.

Molecular Properties

Compound Name1-methyl-3-propan-2-ylbenzene
PubChem CID10812
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name1-methyl-3-propan-2-ylbenzene
SMILESCc1cccc(C(C)C)c1
InChIInChI=1S/C10H14/c1-8(2)10-6-4-5-9(3)7-10/h4-8H,1-3H3
InChIKeyXCYJPXQACVEIOS-UHFFFAOYSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Biphenyl
CID 7095
Toluene
CID 1140
O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
M-Xylene
CID 7929
P-Xylene
CID 7809
1-Methylnaphthalene
CID 7002
P-Cymene
CID 7463
Indene
CID 7219
1,2,4-Trimethylbenzene
CID 7247

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-ylbenzene?
The IUPAC name of 1-methyl-3-propan-2-ylbenzene (CID 10812) is 1-methyl-3-propan-2-ylbenzene.
What is the SMILES notation for 1-methyl-3-propan-2-ylbenzene?
The canonical SMILES for 1-methyl-3-propan-2-ylbenzene is Cc1cccc(C(C)C)c1.
What is the InChIKey of 1-methyl-3-propan-2-ylbenzene?
The InChIKey is XCYJPXQACVEIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-8(2)10-6-4-5-9(3)7-10/h4-8H,1-3H3.
What are the key properties of 1-methyl-3-propan-2-ylbenzene?
1-methyl-3-propan-2-ylbenzene has a molecular weight of 134.22 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-ylbenzene is sourced from PubChem (CID 10812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).