phenylbenzene

C12H8-2 — CID 15377226

IUPACphenylbenzene
SMILES[c-]1c[c-]cc(-c2ccccc2)c1
InChIInChI=1S/C12H8/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-4,7-10H/q-2
InChIKeyRQXJDDVWCBACFP-UHFFFAOYSA-N
MW152.20 g/mol
LogP2.95
Rot. Bonds1

About phenylbenzene

phenylbenzene (PubChem CID 15377226) has the molecular formula C12H8-2 and a molecular weight of 152.20 g/mol. Its IUPAC name is phenylbenzene.

Molecular Properties

Compound Namephenylbenzene
PubChem CID15377226
Molecular FormulaC12H8-2
Molecular Weight152.20 g/mol
Exact Mass152.06
IUPAC Namephenylbenzene
SMILES[c-]1c[c-]cc(-c2ccccc2)c1
InChIInChI=1S/C12H8/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-4,7-10H/q-2
InChIKeyRQXJDDVWCBACFP-UHFFFAOYSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 52.95
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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Frequently Asked Questions

What is the IUPAC name of phenylbenzene?
The IUPAC name of phenylbenzene (CID 15377226) is phenylbenzene.
What is the SMILES notation for phenylbenzene?
The canonical SMILES for phenylbenzene is [c-]1c[c-]cc(-c2ccccc2)c1.
What is the InChIKey of phenylbenzene?
The InChIKey is RQXJDDVWCBACFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-4,7-10H/q-2.
What are the key properties of phenylbenzene?
phenylbenzene has a molecular weight of 152.20 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phenylbenzene is sourced from PubChem (CID 15377226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).