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

C24H24 — CID 157426220

IUPAC5-[4-(4-methylphenyl)cyclopenta-1,4-dien-1-yl]-1-propan-2-yl-1H-indene
SMILESCc1ccc(C2=CC(c3ccc4c(c3)C=CC4C(C)C)=CC2)cc1
InChIInChI=1S/C24H24/c1-16(2)23-12-11-22-15-21(10-13-24(22)23)20-9-8-19(14-20)18-6-4-17(3)5-7-18/h4-7,9-16,23H,8H2,1-3H3
InChIKeyBPZJJUKLRSDLGP-UHFFFAOYSA-N
MW312.46 g/mol
LogP6.63
Rot. Bonds3

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

5-[4-(4-methylphenyl)cyclopenta-1,4-dien-1-yl]-1-propan-2-yl-1H-indene (PubChem CID 157426220) has the molecular formula C24H24 and a molecular weight of 312.46 g/mol. Its IUPAC name is 5-[4-(4-methylphenyl)cyclopenta-1,4-dien-1-yl]-1-propan-2-yl-1H-indene.

Molecular Properties

Compound Name5-[4-(4-methylphenyl)cyclopenta-1,4-dien-1-yl]-1-propan-2-yl-1H-indene
PubChem CID157426220
Molecular FormulaC24H24
Molecular Weight312.46 g/mol
Exact Mass312.19
IUPAC Name5-[4-(4-methylphenyl)cyclopenta-1,4-dien-1-yl]-1-propan-2-yl-1H-indene
SMILESCc1ccc(C2=CC(c3ccc4c(c3)C=CC4C(C)C)=CC2)cc1
InChIInChI=1S/C24H24/c1-16(2)23-12-11-22-15-21(10-13-24(22)23)20-9-8-19(14-20)18-6-4-17(3)5-7-18/h4-7,9-16,23H,8H2,1-3H3
InChIKeyBPZJJUKLRSDLGP-UHFFFAOYSA-N
XLogP6.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.46
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-(4-phenylcyclopenta-1,4-dien-1-yl)-1-propan-2-yl-1H-indene
CID 158968883
5-[3-[3-methyl-4-(2-methylpropyl)phenyl]cyclopenta-1,3-dien-1-yl]-1-propan-2-yl-1H-indene
CID 159096324
[5-(3-phenylcyclopenta-1,3-dien-1-yl)-1H-inden-1-yl]methanediol
CID 156522067
[5-[3-[4-(2-phenylethyl)phenyl]cyclopenta-1,3-dien-1-yl]-1H-inden-1-yl]methanediol
CID 156522024
[5-[3-[2-(hydroxymethyl)phenyl]cyclopenta-1,3-dien-1-yl]-1H-inden-1-yl]methanediol
CID 156522181
1-cyclohexyl-5-[3-(3,5-dimethylphenyl)cyclopenta-1,3-dien-1-yl]-1H-indene
CID 160638448
2-[4-[3-(1-cyclopentyl-1H-inden-5-yl)cyclopenta-1,3-dien-1-yl]phenyl]ethane-1,1-diol
CID 156522122
7-[3-[1-(dihydroxymethyl)-1H-inden-5-yl]cyclopenta-1,3-dien-1-yl]-3,3-bis(hydroxymethyl)-2,4-dihydronaphthalen-1-one
CID 156522248
5-[4-(2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-1H-inden-1-ol
CID 156521847
3-[4-[1-(2-hydroxyethyl)-1H-inden-5-yl]cyclopenta-1,4-dien-1-yl]phenol
CID 156522095
2-[5-[4-(2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-1H-inden-1-yl]acetaldehyde
CID 156522253
1-(6-methyl-1H-inden-1-yl)ethanol
CID 90078898

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methylphenyl)cyclopenta-1,4-dien-1-yl]-1-propan-2-yl-1H-indene?
The IUPAC name of 5-[4-(4-methylphenyl)cyclopenta-1,4-dien-1-yl]-1-propan-2-yl-1H-indene (CID 157426220) is 5-[4-(4-methylphenyl)cyclopenta-1,4-dien-1-yl]-1-propan-2-yl-1H-indene.
What is the SMILES notation for 5-[4-(4-methylphenyl)cyclopenta-1,4-dien-1-yl]-1-propan-2-yl-1H-indene?
The canonical SMILES for 5-[4-(4-methylphenyl)cyclopenta-1,4-dien-1-yl]-1-propan-2-yl-1H-indene is Cc1ccc(C2=CC(c3ccc4c(c3)C=CC4C(C)C)=CC2)cc1.
What is the InChIKey of 5-[4-(4-methylphenyl)cyclopenta-1,4-dien-1-yl]-1-propan-2-yl-1H-indene?
The InChIKey is BPZJJUKLRSDLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24/c1-16(2)23-12-11-22-15-21(10-13-24(22)23)20-9-8-19(14-20)18-6-4-17(3)5-7-18/h4-7,9-16,23H,8H2,1-3H3.
What are the key properties of 5-[4-(4-methylphenyl)cyclopenta-1,4-dien-1-yl]-1-propan-2-yl-1H-indene?
5-[4-(4-methylphenyl)cyclopenta-1,4-dien-1-yl]-1-propan-2-yl-1H-indene has a molecular weight of 312.46 g/mol, XLogP of 6.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methylphenyl)cyclopenta-1,4-dien-1-yl]-1-propan-2-yl-1H-indene is sourced from PubChem (CID 157426220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).