1,2-dimethyl-5-phenylbicyclo[2.2.1]hepta-2,5-diene

C15H16 — CID 91337937

IUPAC1,2-dimethyl-5-phenylbicyclo[2.2.1]hepta-2,5-diene
SMILESCC1=CC2CC1(C)C=C2c1ccccc1
InChIInChI=1S/C15H16/c1-11-8-13-9-15(11,2)10-14(13)12-6-4-3-5-7-12/h3-8,10,13H,9H2,1-2H3
InChIKeyDGIILDKAUYCZJY-UHFFFAOYSA-N
MW196.29 g/mol
LogP4.06
Rot. Bonds1

About 1,2-dimethyl-5-phenylbicyclo[2.2.1]hepta-2,5-diene

1,2-dimethyl-5-phenylbicyclo[2.2.1]hepta-2,5-diene (PubChem CID 91337937) has the molecular formula C15H16 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1,2-dimethyl-5-phenylbicyclo[2.2.1]hepta-2,5-diene.

Molecular Properties

Compound Name1,2-dimethyl-5-phenylbicyclo[2.2.1]hepta-2,5-diene
PubChem CID91337937
Molecular FormulaC15H16
Molecular Weight196.29 g/mol
Exact Mass196.13
IUPAC Name1,2-dimethyl-5-phenylbicyclo[2.2.1]hepta-2,5-diene
SMILESCC1=CC2CC1(C)C=C2c1ccccc1
InChIInChI=1S/C15H16/c1-11-8-13-9-15(11,2)10-14(13)12-6-4-3-5-7-12/h3-8,10,13H,9H2,1-2H3
InChIKeyDGIILDKAUYCZJY-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-phenylbicyclo[2.2.1]hepta-2,5-diene?
The IUPAC name of 1,2-dimethyl-5-phenylbicyclo[2.2.1]hepta-2,5-diene (CID 91337937) is 1,2-dimethyl-5-phenylbicyclo[2.2.1]hepta-2,5-diene.
What is the SMILES notation for 1,2-dimethyl-5-phenylbicyclo[2.2.1]hepta-2,5-diene?
The canonical SMILES for 1,2-dimethyl-5-phenylbicyclo[2.2.1]hepta-2,5-diene is CC1=CC2CC1(C)C=C2c1ccccc1.
What is the InChIKey of 1,2-dimethyl-5-phenylbicyclo[2.2.1]hepta-2,5-diene?
The InChIKey is DGIILDKAUYCZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16/c1-11-8-13-9-15(11,2)10-14(13)12-6-4-3-5-7-12/h3-8,10,13H,9H2,1-2H3.
What are the key properties of 1,2-dimethyl-5-phenylbicyclo[2.2.1]hepta-2,5-diene?
1,2-dimethyl-5-phenylbicyclo[2.2.1]hepta-2,5-diene has a molecular weight of 196.29 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-phenylbicyclo[2.2.1]hepta-2,5-diene is sourced from PubChem (CID 91337937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).