2-[5-[2-(5-ethyl-2-methylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene

C26H26 — CID 58246104

IUPAC2-[5-[2-(5-ethyl-2-methylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene
SMILESC=C(CC1=CCC=C1C1=Cc2ccccc2C1)c1cc(CC)ccc1C
InChIInChI=1S/C26H26/c1-4-20-13-12-18(2)26(15-20)19(3)14-23-10-7-11-25(23)24-16-21-8-5-6-9-22(21)17-24/h5-6,8-13,15-16H,3-4,7,14,17H2,1-2H3
InChIKeySZCAVPCSZFWSDX-UHFFFAOYSA-N
MW338.49 g/mol
LogP6.86
Rot. Bonds5

About 2-[5-[2-(5-ethyl-2-methylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene

2-[5-[2-(5-ethyl-2-methylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene (PubChem CID 58246104) has the molecular formula C26H26 and a molecular weight of 338.49 g/mol. Its IUPAC name is 2-[5-[2-(5-ethyl-2-methylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene.

Molecular Properties

Compound Name2-[5-[2-(5-ethyl-2-methylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene
PubChem CID58246104
Molecular FormulaC26H26
Molecular Weight338.49 g/mol
Exact Mass338.20
IUPAC Name2-[5-[2-(5-ethyl-2-methylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene
SMILESC=C(CC1=CCC=C1C1=Cc2ccccc2C1)c1cc(CC)ccc1C
InChIInChI=1S/C26H26/c1-4-20-13-12-18(2)26(15-20)19(3)14-23-10-7-11-25(23)24-16-21-8-5-6-9-22(21)17-24/h5-6,8-13,15-16H,3-4,7,14,17H2,1-2H3
InChIKeySZCAVPCSZFWSDX-UHFFFAOYSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(5-ethyl-2-methylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene?
The IUPAC name of 2-[5-[2-(5-ethyl-2-methylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene (CID 58246104) is 2-[5-[2-(5-ethyl-2-methylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene.
What is the SMILES notation for 2-[5-[2-(5-ethyl-2-methylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene?
The canonical SMILES for 2-[5-[2-(5-ethyl-2-methylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene is C=C(CC1=CCC=C1C1=Cc2ccccc2C1)c1cc(CC)ccc1C.
What is the InChIKey of 2-[5-[2-(5-ethyl-2-methylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene?
The InChIKey is SZCAVPCSZFWSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26/c1-4-20-13-12-18(2)26(15-20)19(3)14-23-10-7-11-25(23)24-16-21-8-5-6-9-22(21)17-24/h5-6,8-13,15-16H,3-4,7,14,17H2,1-2H3.
What are the key properties of 2-[5-[2-(5-ethyl-2-methylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene?
2-[5-[2-(5-ethyl-2-methylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene has a molecular weight of 338.49 g/mol, XLogP of 6.86, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(5-ethyl-2-methylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene is sourced from PubChem (CID 58246104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).