[4-(2-phenylethyl)-5-prop-2-enylcyclopenta-1,3-dien-1-yl]benzene

C22H22 — CID 140800443

IUPAC[4-(2-phenylethyl)-5-prop-2-enylcyclopenta-1,3-dien-1-yl]benzene
SMILESC=CCC1C(CCc2ccccc2)=CC=C1c1ccccc1
InChIInChI=1S/C22H22/c1-2-9-21-20(15-14-18-10-5-3-6-11-18)16-17-22(21)19-12-7-4-8-13-19/h2-8,10-13,16-17,21H,1,9,14-15H2
InChIKeyLSCQDVZZFCSTKF-UHFFFAOYSA-N
MW286.42 g/mol
LogP5.84
Rot. Bonds6

About [4-(2-phenylethyl)-5-prop-2-enylcyclopenta-1,3-dien-1-yl]benzene

[4-(2-phenylethyl)-5-prop-2-enylcyclopenta-1,3-dien-1-yl]benzene (PubChem CID 140800443) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is [4-(2-phenylethyl)-5-prop-2-enylcyclopenta-1,3-dien-1-yl]benzene.

Molecular Properties

Compound Name[4-(2-phenylethyl)-5-prop-2-enylcyclopenta-1,3-dien-1-yl]benzene
PubChem CID140800443
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name[4-(2-phenylethyl)-5-prop-2-enylcyclopenta-1,3-dien-1-yl]benzene
SMILESC=CCC1C(CCc2ccccc2)=CC=C1c1ccccc1
InChIInChI=1S/C22H22/c1-2-9-21-20(15-14-18-10-5-3-6-11-18)16-17-22(21)19-12-7-4-8-13-19/h2-8,10-13,16-17,21H,1,9,14-15H2
InChIKeyLSCQDVZZFCSTKF-UHFFFAOYSA-N
XLogP5.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 55.84
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 [4-(2-phenylethyl)-5-prop-2-enylcyclopenta-1,3-dien-1-yl]benzene?
The IUPAC name of [4-(2-phenylethyl)-5-prop-2-enylcyclopenta-1,3-dien-1-yl]benzene (CID 140800443) is [4-(2-phenylethyl)-5-prop-2-enylcyclopenta-1,3-dien-1-yl]benzene.
What is the SMILES notation for [4-(2-phenylethyl)-5-prop-2-enylcyclopenta-1,3-dien-1-yl]benzene?
The canonical SMILES for [4-(2-phenylethyl)-5-prop-2-enylcyclopenta-1,3-dien-1-yl]benzene is C=CCC1C(CCc2ccccc2)=CC=C1c1ccccc1.
What is the InChIKey of [4-(2-phenylethyl)-5-prop-2-enylcyclopenta-1,3-dien-1-yl]benzene?
The InChIKey is LSCQDVZZFCSTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22/c1-2-9-21-20(15-14-18-10-5-3-6-11-18)16-17-22(21)19-12-7-4-8-13-19/h2-8,10-13,16-17,21H,1,9,14-15H2.
What are the key properties of [4-(2-phenylethyl)-5-prop-2-enylcyclopenta-1,3-dien-1-yl]benzene?
[4-(2-phenylethyl)-5-prop-2-enylcyclopenta-1,3-dien-1-yl]benzene has a molecular weight of 286.42 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenylethyl)-5-prop-2-enylcyclopenta-1,3-dien-1-yl]benzene is sourced from PubChem (CID 140800443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).