butan-2-ylbenzene

C10H14 — CID 8680

IUPACbutan-2-ylbenzene
SMILESCCC(C)c1ccccc1
InChIInChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
InChIKeyZJMWRROPUADPEA-UHFFFAOYSA-N
MW134.22 g/mol
LogP3.20
Rot. Bonds2

About butan-2-ylbenzene

butan-2-ylbenzene (PubChem CID 8680) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is butan-2-ylbenzene.

Molecular Properties

Compound Namebutan-2-ylbenzene
PubChem CID8680
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Namebutan-2-ylbenzene
SMILESCCC(C)c1ccccc1
InChIInChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
InChIKeyZJMWRROPUADPEA-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of butan-2-ylbenzene?
The IUPAC name of butan-2-ylbenzene (CID 8680) is butan-2-ylbenzene.
What is the SMILES notation for butan-2-ylbenzene?
The canonical SMILES for butan-2-ylbenzene is CCC(C)c1ccccc1.
What is the InChIKey of butan-2-ylbenzene?
The InChIKey is ZJMWRROPUADPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3.
What are the key properties of butan-2-ylbenzene?
butan-2-ylbenzene has a molecular weight of 134.22 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ylbenzene is sourced from PubChem (CID 8680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).