stilbene

C14H12 — CID 11502

IUPACstilbene
SMILESC(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H
InChIKeyPJANXHGTPQOBST-UHFFFAOYSA-N
MW180.25 g/mol
LogP3.86
Rot. Bonds2

About stilbene

stilbene (PubChem CID 11502) has the molecular formula C14H12 and a molecular weight of 180.25 g/mol. Its IUPAC name is stilbene.

Molecular Properties

Compound Namestilbene
PubChem CID11502
Molecular FormulaC14H12
Molecular Weight180.25 g/mol
Exact Mass180.09
IUPAC Namestilbene
SMILESC(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H
InChIKeyPJANXHGTPQOBST-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

Naphthalene
CID 931
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
Indene
CID 7219
Cumene
CID 7406

Frequently Asked Questions

What is the IUPAC name of stilbene?
The IUPAC name of stilbene (CID 11502) is stilbene.
What is the SMILES notation for stilbene?
The canonical SMILES for stilbene is C(=Cc1ccccc1)c1ccccc1.
What is the InChIKey of stilbene?
The InChIKey is PJANXHGTPQOBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H.
What are the key properties of stilbene?
stilbene has a molecular weight of 180.25 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for stilbene is sourced from PubChem (CID 11502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).