butylbenzene

C10H14 — CID 7705

IUPACbutylbenzene
SMILESCCCCc1ccccc1
InChIInChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3
InChIKeyOCKPCBLVNKHBMX-UHFFFAOYSA-N
MW134.22 g/mol
LogP3.03
Rot. Bonds3

About butylbenzene

butylbenzene (PubChem CID 7705) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is butylbenzene.

Molecular Properties

Compound Namebutylbenzene
PubChem CID7705
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Namebutylbenzene
SMILESCCCCc1ccccc1
InChIInChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3
InChIKeyOCKPCBLVNKHBMX-UHFFFAOYSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 53.03
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
Tetralin
CID 8404
P-Cymene
CID 7463
Indene
CID 7219
1,2,4-Trimethylbenzene
CID 7247

Frequently Asked Questions

What is the IUPAC name of butylbenzene?
The IUPAC name of butylbenzene (CID 7705) is butylbenzene.
What is the SMILES notation for butylbenzene?
The canonical SMILES for butylbenzene is CCCCc1ccccc1.
What is the InChIKey of butylbenzene?
The InChIKey is OCKPCBLVNKHBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3.
What are the key properties of butylbenzene?
butylbenzene has a molecular weight of 134.22 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butylbenzene is sourced from PubChem (CID 7705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).