2-[5-[2-(2,3-dimethylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene

C25H24 — CID 58246100

IUPAC2-[5-[2-(2,3-dimethylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene
SMILESC=C(CC1=CCC=C1C1=Cc2ccccc2C1)c1cccc(C)c1C
InChIInChI=1S/C25H24/c1-17-8-6-12-24(19(17)3)18(2)14-22-11-7-13-25(22)23-15-20-9-4-5-10-21(20)16-23/h4-6,8-13,15H,2,7,14,16H2,1,3H3
InChIKeyNNFHUQWFHXJCLJ-UHFFFAOYSA-N
MW324.47 g/mol
LogP6.60
Rot. Bonds4

About 2-[5-[2-(2,3-dimethylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene

2-[5-[2-(2,3-dimethylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene (PubChem CID 58246100) has the molecular formula C25H24 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-[5-[2-(2,3-dimethylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene.

Molecular Properties

Compound Name2-[5-[2-(2,3-dimethylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene
PubChem CID58246100
Molecular FormulaC25H24
Molecular Weight324.47 g/mol
Exact Mass324.19
IUPAC Name2-[5-[2-(2,3-dimethylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene
SMILESC=C(CC1=CCC=C1C1=Cc2ccccc2C1)c1cccc(C)c1C
InChIInChI=1S/C25H24/c1-17-8-6-12-24(19(17)3)18(2)14-22-11-7-13-25(22)23-15-20-9-4-5-10-21(20)16-23/h4-6,8-13,15H,2,7,14,16H2,1,3H3
InChIKeyNNFHUQWFHXJCLJ-UHFFFAOYSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.47
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(2,3-dimethylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene?
The IUPAC name of 2-[5-[2-(2,3-dimethylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene (CID 58246100) is 2-[5-[2-(2,3-dimethylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene.
What is the SMILES notation for 2-[5-[2-(2,3-dimethylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene?
The canonical SMILES for 2-[5-[2-(2,3-dimethylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene is C=C(CC1=CCC=C1C1=Cc2ccccc2C1)c1cccc(C)c1C.
What is the InChIKey of 2-[5-[2-(2,3-dimethylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene?
The InChIKey is NNFHUQWFHXJCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24/c1-17-8-6-12-24(19(17)3)18(2)14-22-11-7-13-25(22)23-15-20-9-4-5-10-21(20)16-23/h4-6,8-13,15H,2,7,14,16H2,1,3H3.
What are the key properties of 2-[5-[2-(2,3-dimethylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene?
2-[5-[2-(2,3-dimethylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene has a molecular weight of 324.47 g/mol, XLogP of 6.60, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(2,3-dimethylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene is sourced from PubChem (CID 58246100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).