5-[2-(4-ethylphenyl)ethyl]-2-(3-propylphenyl)-1H-indene

C28H30 — CID 140812764

IUPAC5-[2-(4-ethylphenyl)ethyl]-2-(3-propylphenyl)-1H-indene
SMILESCCCc1cccc(C2=Cc3cc(CCc4ccc(CC)cc4)ccc3C2)c1
InChIInChI=1S/C28H30/c1-3-6-23-7-5-8-25(17-23)28-19-26-16-15-24(18-27(26)20-28)14-13-22-11-9-21(4-2)10-12-22/h5,7-12,15-18,20H,3-4,6,13-14,19H2,1-2H3
InChIKeyJKWFCDXKEJJGAE-UHFFFAOYSA-N
MW366.55 g/mol
LogP7.08
Rot. Bonds7

About 5-[2-(4-ethylphenyl)ethyl]-2-(3-propylphenyl)-1H-indene

5-[2-(4-ethylphenyl)ethyl]-2-(3-propylphenyl)-1H-indene (PubChem CID 140812764) has the molecular formula C28H30 and a molecular weight of 366.55 g/mol. Its IUPAC name is 5-[2-(4-ethylphenyl)ethyl]-2-(3-propylphenyl)-1H-indene.

Molecular Properties

Compound Name5-[2-(4-ethylphenyl)ethyl]-2-(3-propylphenyl)-1H-indene
PubChem CID140812764
Molecular FormulaC28H30
Molecular Weight366.55 g/mol
Exact Mass366.23
IUPAC Name5-[2-(4-ethylphenyl)ethyl]-2-(3-propylphenyl)-1H-indene
SMILESCCCc1cccc(C2=Cc3cc(CCc4ccc(CC)cc4)ccc3C2)c1
InChIInChI=1S/C28H30/c1-3-6-23-7-5-8-25(17-23)28-19-26-16-15-24(18-27(26)20-28)14-13-22-11-9-21(4-2)10-12-22/h5,7-12,15-18,20H,3-4,6,13-14,19H2,1-2H3
InChIKeyJKWFCDXKEJJGAE-UHFFFAOYSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

5-[2-(4-ethylphenyl)ethyl]-2-(4-propylphenyl)-1H-indene
CID 140812744
4-[2-[2-(4-propylphenyl)-1H-inden-5-yl]ethyl]phenol
CID 131983294
1-phenyl-3-propylbenzene
CID 4110465
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771
2-phenyl-4-(4-propylphenyl)-1H-indene;zirconium
CID 174563339
6-propyl-1H-naphthalen-2-one
CID 141020466
ethane;1-ethyl-4-(4-propylphenyl)benzene
CID 142388235
ethane;ethylbenzene;propylbenzene
CID 153343160
ethane;ethylbenzene;propylbenzene
CID 144852867
[3-(3-propylphenyl)phenyl]methanamine
CID 1392934
[3-(4-propylphenyl)phenyl]methanol
CID 1393732
1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene
CID 102370536

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-ethylphenyl)ethyl]-2-(3-propylphenyl)-1H-indene?
The IUPAC name of 5-[2-(4-ethylphenyl)ethyl]-2-(3-propylphenyl)-1H-indene (CID 140812764) is 5-[2-(4-ethylphenyl)ethyl]-2-(3-propylphenyl)-1H-indene.
What is the SMILES notation for 5-[2-(4-ethylphenyl)ethyl]-2-(3-propylphenyl)-1H-indene?
The canonical SMILES for 5-[2-(4-ethylphenyl)ethyl]-2-(3-propylphenyl)-1H-indene is CCCc1cccc(C2=Cc3cc(CCc4ccc(CC)cc4)ccc3C2)c1.
What is the InChIKey of 5-[2-(4-ethylphenyl)ethyl]-2-(3-propylphenyl)-1H-indene?
The InChIKey is JKWFCDXKEJJGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30/c1-3-6-23-7-5-8-25(17-23)28-19-26-16-15-24(18-27(26)20-28)14-13-22-11-9-21(4-2)10-12-22/h5,7-12,15-18,20H,3-4,6,13-14,19H2,1-2H3.
What are the key properties of 5-[2-(4-ethylphenyl)ethyl]-2-(3-propylphenyl)-1H-indene?
5-[2-(4-ethylphenyl)ethyl]-2-(3-propylphenyl)-1H-indene has a molecular weight of 366.55 g/mol, XLogP of 7.08, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-ethylphenyl)ethyl]-2-(3-propylphenyl)-1H-indene is sourced from PubChem (CID 140812764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).