(4-prop-1-en-2-ylcyclopenta-1,4-dien-1-yl)methylbenzene

C15H16 — CID 169061695

IUPAC(4-prop-1-en-2-ylcyclopenta-1,4-dien-1-yl)methylbenzene
SMILESC=C(C)C1=CC(Cc2ccccc2)=CC1
InChIInChI=1S/C15H16/c1-12(2)15-9-8-14(11-15)10-13-6-4-3-5-7-13/h3-8,11H,1,9-10H2,2H3
InChIKeyOUBXAFHFPCFYSA-UHFFFAOYSA-N
MW196.29 g/mol
LogP4.06
Rot. Bonds3

About (4-prop-1-en-2-ylcyclopenta-1,4-dien-1-yl)methylbenzene

(4-prop-1-en-2-ylcyclopenta-1,4-dien-1-yl)methylbenzene (PubChem CID 169061695) has the molecular formula C15H16 and a molecular weight of 196.29 g/mol. Its IUPAC name is (4-prop-1-en-2-ylcyclopenta-1,4-dien-1-yl)methylbenzene.

Molecular Properties

Compound Name(4-prop-1-en-2-ylcyclopenta-1,4-dien-1-yl)methylbenzene
PubChem CID169061695
Molecular FormulaC15H16
Molecular Weight196.29 g/mol
Exact Mass196.13
IUPAC Name(4-prop-1-en-2-ylcyclopenta-1,4-dien-1-yl)methylbenzene
SMILESC=C(C)C1=CC(Cc2ccccc2)=CC1
InChIInChI=1S/C15H16/c1-12(2)15-9-8-14(11-15)10-13-6-4-3-5-7-13/h3-8,11H,1,9-10H2,2H3
InChIKeyOUBXAFHFPCFYSA-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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

Analyze (4-prop-1-en-2-ylcyclopenta-1,4-dien-1-yl)methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-prop-1-en-2-ylcyclopenta-1,4-dien-1-yl)methylbenzene?
The IUPAC name of (4-prop-1-en-2-ylcyclopenta-1,4-dien-1-yl)methylbenzene (CID 169061695) is (4-prop-1-en-2-ylcyclopenta-1,4-dien-1-yl)methylbenzene.
What is the SMILES notation for (4-prop-1-en-2-ylcyclopenta-1,4-dien-1-yl)methylbenzene?
The canonical SMILES for (4-prop-1-en-2-ylcyclopenta-1,4-dien-1-yl)methylbenzene is C=C(C)C1=CC(Cc2ccccc2)=CC1.
What is the InChIKey of (4-prop-1-en-2-ylcyclopenta-1,4-dien-1-yl)methylbenzene?
The InChIKey is OUBXAFHFPCFYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16/c1-12(2)15-9-8-14(11-15)10-13-6-4-3-5-7-13/h3-8,11H,1,9-10H2,2H3.
What are the key properties of (4-prop-1-en-2-ylcyclopenta-1,4-dien-1-yl)methylbenzene?
(4-prop-1-en-2-ylcyclopenta-1,4-dien-1-yl)methylbenzene has a molecular weight of 196.29 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-prop-1-en-2-ylcyclopenta-1,4-dien-1-yl)methylbenzene is sourced from PubChem (CID 169061695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).