4-(3,5-dimethylphenyl)-2-[(1-ethylcyclononyl)methyl]-1H-indene

C29H38 — CID 87381239

IUPAC4-(3,5-dimethylphenyl)-2-[(1-ethylcyclononyl)methyl]-1H-indene
SMILESCCC1(CC2=Cc3c(cccc3-c3cc(C)cc(C)c3)C2)CCCCCCCC1
InChIInChI=1S/C29H38/c1-4-29(14-9-7-5-6-8-10-15-29)21-24-19-25-12-11-13-27(28(25)20-24)26-17-22(2)16-23(3)18-26/h11-13,16-18,20H,4-10,14-15,19,21H2,1-3H3
InChIKeyGRELCSJIUFYGBK-UHFFFAOYSA-N
MW386.62 g/mol
LogP8.83
Rot. Bonds4

About 4-(3,5-dimethylphenyl)-2-[(1-ethylcyclononyl)methyl]-1H-indene

4-(3,5-dimethylphenyl)-2-[(1-ethylcyclononyl)methyl]-1H-indene (PubChem CID 87381239) has the molecular formula C29H38 and a molecular weight of 386.62 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-2-[(1-ethylcyclononyl)methyl]-1H-indene.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-2-[(1-ethylcyclononyl)methyl]-1H-indene
PubChem CID87381239
Molecular FormulaC29H38
Molecular Weight386.62 g/mol
Exact Mass386.30
IUPAC Name4-(3,5-dimethylphenyl)-2-[(1-ethylcyclononyl)methyl]-1H-indene
SMILESCCC1(CC2=Cc3c(cccc3-c3cc(C)cc(C)c3)C2)CCCCCCCC1
InChIInChI=1S/C29H38/c1-4-29(14-9-7-5-6-8-10-15-29)21-24-19-25-12-11-13-27(28(25)20-24)26-17-22(2)16-23(3)18-26/h11-13,16-18,20H,4-10,14-15,19,21H2,1-3H3
InChIKeyGRELCSJIUFYGBK-UHFFFAOYSA-N
XLogP8.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.62
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(3,5-dimethylphenyl)-2-[(1-propylcyclopropyl)methyl]-1H-indene
CID 87381428
2-[2-[(1-ethylcyclopentyl)methyl]-1H-inden-4-yl]naphthalene
CID 87381641
[4-[2-[(1-ethylcyclononyl)methyl]-1H-inden-4-yl]phenyl]-trimethylsilane
CID 87381368
[4-[2-[(1-ethylcyclooctyl)methyl]-1H-inden-4-yl]phenyl]-trimethylsilane
CID 87381886
2-(1-bicyclo[2.2.1]heptanylmethyl)-4-(3,5-dimethylphenyl)-1H-indene
CID 87473332
1-[2-[(1-ethylcyclobutyl)methyl]-1H-inden-4-yl]naphthalene
CID 87381334
trimethyl-[4-[2-[(1-propylcyclopropyl)methyl]-1H-inden-4-yl]phenyl]silane
CID 87381858
2-ethyl-4-(3-fluorophenyl)-1H-indene
CID 173192641
2-butyl-4,7-bis(3,5-dimethylphenyl)-1H-indene
CID 87142110
4-(4-chlorophenyl)-2-ethyl-1H-indene
CID 18008260
2-(cyclohexylmethyl)-4-(4-ethylphenyl)-1H-indene
CID 87473753
4-(3,5-diphenylphenyl)-2-methyl-1H-indene
CID 141047281

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-2-[(1-ethylcyclononyl)methyl]-1H-indene?
The IUPAC name of 4-(3,5-dimethylphenyl)-2-[(1-ethylcyclononyl)methyl]-1H-indene (CID 87381239) is 4-(3,5-dimethylphenyl)-2-[(1-ethylcyclononyl)methyl]-1H-indene.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-2-[(1-ethylcyclononyl)methyl]-1H-indene?
The canonical SMILES for 4-(3,5-dimethylphenyl)-2-[(1-ethylcyclononyl)methyl]-1H-indene is CCC1(CC2=Cc3c(cccc3-c3cc(C)cc(C)c3)C2)CCCCCCCC1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-2-[(1-ethylcyclononyl)methyl]-1H-indene?
The InChIKey is GRELCSJIUFYGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38/c1-4-29(14-9-7-5-6-8-10-15-29)21-24-19-25-12-11-13-27(28(25)20-24)26-17-22(2)16-23(3)18-26/h11-13,16-18,20H,4-10,14-15,19,21H2,1-3H3.
What are the key properties of 4-(3,5-dimethylphenyl)-2-[(1-ethylcyclononyl)methyl]-1H-indene?
4-(3,5-dimethylphenyl)-2-[(1-ethylcyclononyl)methyl]-1H-indene has a molecular weight of 386.62 g/mol, XLogP of 8.83, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-2-[(1-ethylcyclononyl)methyl]-1H-indene is sourced from PubChem (CID 87381239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).