1-(4-phenylphenyl)cycloheptene

C19H20 — CID 58982123

IUPAC1-(4-phenylphenyl)cycloheptene
SMILESC1=C(c2ccc(-c3ccccc3)cc2)CCCCC1
InChIInChI=1S/C19H20/c1-2-5-9-16(8-4-1)18-12-14-19(15-13-18)17-10-6-3-7-11-17/h3,6-8,10-15H,1-2,4-5,9H2
InChIKeyOSOZXZVMBJKIIT-UHFFFAOYSA-N
MW248.37 g/mol
LogP5.70
Rot. Bonds2

About 1-(4-phenylphenyl)cycloheptene

1-(4-phenylphenyl)cycloheptene (PubChem CID 58982123) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(4-phenylphenyl)cycloheptene.

Molecular Properties

Compound Name1-(4-phenylphenyl)cycloheptene
PubChem CID58982123
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name1-(4-phenylphenyl)cycloheptene
SMILESC1=C(c2ccc(-c3ccccc3)cc2)CCCCC1
InChIInChI=1S/C19H20/c1-2-5-9-16(8-4-1)18-12-14-19(15-13-18)17-10-6-3-7-11-17/h3,6-8,10-15H,1-2,4-5,9H2
InChIKeyOSOZXZVMBJKIIT-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)cycloheptene?
The IUPAC name of 1-(4-phenylphenyl)cycloheptene (CID 58982123) is 1-(4-phenylphenyl)cycloheptene.
What is the SMILES notation for 1-(4-phenylphenyl)cycloheptene?
The canonical SMILES for 1-(4-phenylphenyl)cycloheptene is C1=C(c2ccc(-c3ccccc3)cc2)CCCCC1.
What is the InChIKey of 1-(4-phenylphenyl)cycloheptene?
The InChIKey is OSOZXZVMBJKIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20/c1-2-5-9-16(8-4-1)18-12-14-19(15-13-18)17-10-6-3-7-11-17/h3,6-8,10-15H,1-2,4-5,9H2.
What are the key properties of 1-(4-phenylphenyl)cycloheptene?
1-(4-phenylphenyl)cycloheptene has a molecular weight of 248.37 g/mol, XLogP of 5.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)cycloheptene is sourced from PubChem (CID 58982123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).