2-(3-methylphenyl)bicyclo[2.2.1]hept-2-ene

C14H16 — CID 54093504

IUPAC2-(3-methylphenyl)bicyclo[2.2.1]hept-2-ene
SMILESCc1cccc(C2=CC3CCC2C3)c1
InChIInChI=1S/C14H16/c1-10-3-2-4-12(7-10)14-9-11-5-6-13(14)8-11/h2-4,7,9,11,13H,5-6,8H2,1H3
InChIKeyMVMPTMNIABDHCE-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.81
Rot. Bonds1

About 2-(3-methylphenyl)bicyclo[2.2.1]hept-2-ene

2-(3-methylphenyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 54093504) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(3-methylphenyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name2-(3-methylphenyl)bicyclo[2.2.1]hept-2-ene
PubChem CID54093504
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name2-(3-methylphenyl)bicyclo[2.2.1]hept-2-ene
SMILESCc1cccc(C2=CC3CCC2C3)c1
InChIInChI=1S/C14H16/c1-10-3-2-4-12(7-10)14-9-11-5-6-13(14)8-11/h2-4,7,9,11,13H,5-6,8H2,1H3
InChIKeyMVMPTMNIABDHCE-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 2-(3-methylphenyl)bicyclo[2.2.1]hept-2-ene (CID 54093504) is 2-(3-methylphenyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 2-(3-methylphenyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 2-(3-methylphenyl)bicyclo[2.2.1]hept-2-ene is Cc1cccc(C2=CC3CCC2C3)c1.
What is the InChIKey of 2-(3-methylphenyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is MVMPTMNIABDHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-10-3-2-4-12(7-10)14-9-11-5-6-13(14)8-11/h2-4,7,9,11,13H,5-6,8H2,1H3.
What are the key properties of 2-(3-methylphenyl)bicyclo[2.2.1]hept-2-ene?
2-(3-methylphenyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 184.28 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 54093504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).