[(2,4-dimethylcyclopenta-1,3-dien-1-yl)-phenylmethyl]benzene

C20H20 — CID 123226587

IUPAC[(2,4-dimethylcyclopenta-1,3-dien-1-yl)-phenylmethyl]benzene
SMILESCC1=CC(C)=C(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H20/c1-15-13-16(2)19(14-15)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13,20H,14H2,1-2H3
InChIKeySMGYTIKHRHIYAE-UHFFFAOYSA-N
MW260.38 g/mol
LogP5.49
Rot. Bonds3

About [(2,4-dimethylcyclopenta-1,3-dien-1-yl)-phenylmethyl]benzene

[(2,4-dimethylcyclopenta-1,3-dien-1-yl)-phenylmethyl]benzene (PubChem CID 123226587) has the molecular formula C20H20 and a molecular weight of 260.38 g/mol. Its IUPAC name is [(2,4-dimethylcyclopenta-1,3-dien-1-yl)-phenylmethyl]benzene.

Molecular Properties

Compound Name[(2,4-dimethylcyclopenta-1,3-dien-1-yl)-phenylmethyl]benzene
PubChem CID123226587
Molecular FormulaC20H20
Molecular Weight260.38 g/mol
Exact Mass260.16
IUPAC Name[(2,4-dimethylcyclopenta-1,3-dien-1-yl)-phenylmethyl]benzene
SMILESCC1=CC(C)=C(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H20/c1-15-13-16(2)19(14-15)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13,20H,14H2,1-2H3
InChIKeySMGYTIKHRHIYAE-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.38
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [(2,4-dimethylcyclopenta-1,3-dien-1-yl)-phenylmethyl]benzene?
The IUPAC name of [(2,4-dimethylcyclopenta-1,3-dien-1-yl)-phenylmethyl]benzene (CID 123226587) is [(2,4-dimethylcyclopenta-1,3-dien-1-yl)-phenylmethyl]benzene.
What is the SMILES notation for [(2,4-dimethylcyclopenta-1,3-dien-1-yl)-phenylmethyl]benzene?
The canonical SMILES for [(2,4-dimethylcyclopenta-1,3-dien-1-yl)-phenylmethyl]benzene is CC1=CC(C)=C(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of [(2,4-dimethylcyclopenta-1,3-dien-1-yl)-phenylmethyl]benzene?
The InChIKey is SMGYTIKHRHIYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20/c1-15-13-16(2)19(14-15)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13,20H,14H2,1-2H3.
What are the key properties of [(2,4-dimethylcyclopenta-1,3-dien-1-yl)-phenylmethyl]benzene?
[(2,4-dimethylcyclopenta-1,3-dien-1-yl)-phenylmethyl]benzene has a molecular weight of 260.38 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,4-dimethylcyclopenta-1,3-dien-1-yl)-phenylmethyl]benzene is sourced from PubChem (CID 123226587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).