1-(3,4-dimethylphenyl)bicyclo[2.2.1]heptane

C15H20 — CID 155643298

IUPAC1-(3,4-dimethylphenyl)bicyclo[2.2.1]heptane
SMILESCc1ccc(C23CCC(CC2)C3)cc1C
InChIInChI=1S/C15H20/c1-11-3-4-14(9-12(11)2)15-7-5-13(10-15)6-8-15/h3-4,9,13H,5-8,10H2,1-2H3
InChIKeyRACFPXIHCUNXCR-UHFFFAOYSA-N
MW200.32 g/mol
LogP4.14
Rot. Bonds1

About 1-(3,4-dimethylphenyl)bicyclo[2.2.1]heptane

1-(3,4-dimethylphenyl)bicyclo[2.2.1]heptane (PubChem CID 155643298) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)bicyclo[2.2.1]heptane
PubChem CID155643298
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name1-(3,4-dimethylphenyl)bicyclo[2.2.1]heptane
SMILESCc1ccc(C23CCC(CC2)C3)cc1C
InChIInChI=1S/C15H20/c1-11-3-4-14(9-12(11)2)15-7-5-13(10-15)6-8-15/h3-4,9,13H,5-8,10H2,1-2H3
InChIKeyRACFPXIHCUNXCR-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)bicyclo[2.2.1]heptane?
The IUPAC name of 1-(3,4-dimethylphenyl)bicyclo[2.2.1]heptane (CID 155643298) is 1-(3,4-dimethylphenyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 1-(3,4-dimethylphenyl)bicyclo[2.2.1]heptane?
The canonical SMILES for 1-(3,4-dimethylphenyl)bicyclo[2.2.1]heptane is Cc1ccc(C23CCC(CC2)C3)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)bicyclo[2.2.1]heptane?
The InChIKey is RACFPXIHCUNXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-11-3-4-14(9-12(11)2)15-7-5-13(10-15)6-8-15/h3-4,9,13H,5-8,10H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)bicyclo[2.2.1]heptane?
1-(3,4-dimethylphenyl)bicyclo[2.2.1]heptane has a molecular weight of 200.32 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 155643298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).