(2-benzylcyclobut-2-en-1-yl)benzene

C17H16 — CID 174460229

IUPAC(2-benzylcyclobut-2-en-1-yl)benzene
SMILESC1=C(Cc2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C17H16/c1-3-7-14(8-4-1)13-16-11-12-17(16)15-9-5-2-6-10-15/h1-11,17H,12-13H2
InChIKeyHBISHKYXHWQYDZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP4.34
Rot. Bonds3

About (2-benzylcyclobut-2-en-1-yl)benzene

(2-benzylcyclobut-2-en-1-yl)benzene (PubChem CID 174460229) has the molecular formula C17H16 and a molecular weight of 220.32 g/mol. Its IUPAC name is (2-benzylcyclobut-2-en-1-yl)benzene.

Molecular Properties

Compound Name(2-benzylcyclobut-2-en-1-yl)benzene
PubChem CID174460229
Molecular FormulaC17H16
Molecular Weight220.32 g/mol
Exact Mass220.13
IUPAC Name(2-benzylcyclobut-2-en-1-yl)benzene
SMILESC1=C(Cc2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C17H16/c1-3-7-14(8-4-1)13-16-11-12-17(16)15-9-5-2-6-10-15/h1-11,17H,12-13H2
InChIKeyHBISHKYXHWQYDZ-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 54.34
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 (2-benzylcyclobut-2-en-1-yl)benzene?
The IUPAC name of (2-benzylcyclobut-2-en-1-yl)benzene (CID 174460229) is (2-benzylcyclobut-2-en-1-yl)benzene.
What is the SMILES notation for (2-benzylcyclobut-2-en-1-yl)benzene?
The canonical SMILES for (2-benzylcyclobut-2-en-1-yl)benzene is C1=C(Cc2ccccc2)C(c2ccccc2)C1.
What is the InChIKey of (2-benzylcyclobut-2-en-1-yl)benzene?
The InChIKey is HBISHKYXHWQYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16/c1-3-7-14(8-4-1)13-16-11-12-17(16)15-9-5-2-6-10-15/h1-11,17H,12-13H2.
What are the key properties of (2-benzylcyclobut-2-en-1-yl)benzene?
(2-benzylcyclobut-2-en-1-yl)benzene has a molecular weight of 220.32 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylcyclobut-2-en-1-yl)benzene is sourced from PubChem (CID 174460229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).