1-methyl-3-propylbenzene

C10H14 — CID 14092

IUPAC1-methyl-3-propylbenzene
SMILESCCCc1cccc(C)c1
InChIInChI=1S/C10H14/c1-3-5-10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3
InChIKeyQUEBYVKXYIKVSO-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.95
Rot. Bonds2

About 1-methyl-3-propylbenzene

1-methyl-3-propylbenzene (PubChem CID 14092) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 1-methyl-3-propylbenzene.

Molecular Properties

Compound Name1-methyl-3-propylbenzene
PubChem CID14092
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name1-methyl-3-propylbenzene
SMILESCCCc1cccc(C)c1
InChIInChI=1S/C10H14/c1-3-5-10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3
InChIKeyQUEBYVKXYIKVSO-UHFFFAOYSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propylbenzene?
The IUPAC name of 1-methyl-3-propylbenzene (CID 14092) is 1-methyl-3-propylbenzene.
What is the SMILES notation for 1-methyl-3-propylbenzene?
The canonical SMILES for 1-methyl-3-propylbenzene is CCCc1cccc(C)c1.
What is the InChIKey of 1-methyl-3-propylbenzene?
The InChIKey is QUEBYVKXYIKVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-3-5-10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3.
What are the key properties of 1-methyl-3-propylbenzene?
1-methyl-3-propylbenzene has a molecular weight of 134.22 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propylbenzene is sourced from PubChem (CID 14092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).