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

C20H20 — CID 141345784

IUPAC[(2-ethylcyclopenta-2,4-dien-1-yl)-phenylmethyl]benzene
SMILESCCC1=CC=CC1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20/c1-2-16-14-9-15-19(16)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-15,19-20H,2H2,1H3
InChIKeyVYOWWSSKBRLTTH-UHFFFAOYSA-N
MW260.38 g/mol
LogP5.34
Rot. Bonds4

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

[(2-ethylcyclopenta-2,4-dien-1-yl)-phenylmethyl]benzene (PubChem CID 141345784) has the molecular formula C20H20 and a molecular weight of 260.38 g/mol. Its IUPAC name is [(2-ethylcyclopenta-2,4-dien-1-yl)-phenylmethyl]benzene.

Molecular Properties

Compound Name[(2-ethylcyclopenta-2,4-dien-1-yl)-phenylmethyl]benzene
PubChem CID141345784
Molecular FormulaC20H20
Molecular Weight260.38 g/mol
Exact Mass260.16
IUPAC Name[(2-ethylcyclopenta-2,4-dien-1-yl)-phenylmethyl]benzene
SMILESCCC1=CC=CC1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20/c1-2-16-14-9-15-19(16)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-15,19-20H,2H2,1H3
InChIKeyVYOWWSSKBRLTTH-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.38
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [(2-ethylcyclopenta-2,4-dien-1-yl)-phenylmethyl]benzene?
The IUPAC name of [(2-ethylcyclopenta-2,4-dien-1-yl)-phenylmethyl]benzene (CID 141345784) is [(2-ethylcyclopenta-2,4-dien-1-yl)-phenylmethyl]benzene.
What is the SMILES notation for [(2-ethylcyclopenta-2,4-dien-1-yl)-phenylmethyl]benzene?
The canonical SMILES for [(2-ethylcyclopenta-2,4-dien-1-yl)-phenylmethyl]benzene is CCC1=CC=CC1C(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2-ethylcyclopenta-2,4-dien-1-yl)-phenylmethyl]benzene?
The InChIKey is VYOWWSSKBRLTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20/c1-2-16-14-9-15-19(16)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-15,19-20H,2H2,1H3.
What are the key properties of [(2-ethylcyclopenta-2,4-dien-1-yl)-phenylmethyl]benzene?
[(2-ethylcyclopenta-2,4-dien-1-yl)-phenylmethyl]benzene has a molecular weight of 260.38 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-ethylcyclopenta-2,4-dien-1-yl)-phenylmethyl]benzene is sourced from PubChem (CID 141345784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).