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

C24H28 — CID 87381428

IUPAC4-(3,5-dimethylphenyl)-2-[(1-propylcyclopropyl)methyl]-1H-indene
SMILESCCCC1(CC2=Cc3c(cccc3-c3cc(C)cc(C)c3)C2)CC1
InChIInChI=1S/C24H28/c1-4-8-24(9-10-24)16-19-14-20-6-5-7-22(23(20)15-19)21-12-17(2)11-18(3)13-21/h5-7,11-13,15H,4,8-10,14,16H2,1-3H3
InChIKeyVNUFVSOJILQUGG-UHFFFAOYSA-N
MW316.49 g/mol
LogP6.88
Rot. Bonds5

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

4-(3,5-dimethylphenyl)-2-[(1-propylcyclopropyl)methyl]-1H-indene (PubChem CID 87381428) has the molecular formula C24H28 and a molecular weight of 316.49 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-2-[(1-propylcyclopropyl)methyl]-1H-indene.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-2-[(1-propylcyclopropyl)methyl]-1H-indene
PubChem CID87381428
Molecular FormulaC24H28
Molecular Weight316.49 g/mol
Exact Mass316.22
IUPAC Name4-(3,5-dimethylphenyl)-2-[(1-propylcyclopropyl)methyl]-1H-indene
SMILESCCCC1(CC2=Cc3c(cccc3-c3cc(C)cc(C)c3)C2)CC1
InChIInChI=1S/C24H28/c1-4-8-24(9-10-24)16-19-14-20-6-5-7-22(23(20)15-19)21-12-17(2)11-18(3)13-21/h5-7,11-13,15H,4,8-10,14,16H2,1-3H3
InChIKeyVNUFVSOJILQUGG-UHFFFAOYSA-N
XLogP6.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.49
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(3,5-dimethylphenyl)-2-[(1-ethylcyclononyl)methyl]-1H-indene
CID 87381239
trimethyl-[4-[2-[(1-propylcyclopropyl)methyl]-1H-inden-4-yl]phenyl]silane
CID 87381858
2-(1-bicyclo[2.2.1]heptanylmethyl)-4-(3,5-dimethylphenyl)-1H-indene
CID 87473332
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
1-[2-[(1-ethylcyclobutyl)methyl]-1H-inden-4-yl]naphthalene
CID 87381334
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
3-(2-ethyl-1H-inden-4-yl)-1-methylpyrrole
CID 173192551
2-hexyl-4-(4-propylphenyl)-1H-indene
CID 22507887

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-2-[(1-propylcyclopropyl)methyl]-1H-indene?
The IUPAC name of 4-(3,5-dimethylphenyl)-2-[(1-propylcyclopropyl)methyl]-1H-indene (CID 87381428) is 4-(3,5-dimethylphenyl)-2-[(1-propylcyclopropyl)methyl]-1H-indene.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-2-[(1-propylcyclopropyl)methyl]-1H-indene?
The canonical SMILES for 4-(3,5-dimethylphenyl)-2-[(1-propylcyclopropyl)methyl]-1H-indene is CCCC1(CC2=Cc3c(cccc3-c3cc(C)cc(C)c3)C2)CC1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-2-[(1-propylcyclopropyl)methyl]-1H-indene?
The InChIKey is VNUFVSOJILQUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28/c1-4-8-24(9-10-24)16-19-14-20-6-5-7-22(23(20)15-19)21-12-17(2)11-18(3)13-21/h5-7,11-13,15H,4,8-10,14,16H2,1-3H3.
What are the key properties of 4-(3,5-dimethylphenyl)-2-[(1-propylcyclopropyl)methyl]-1H-indene?
4-(3,5-dimethylphenyl)-2-[(1-propylcyclopropyl)methyl]-1H-indene has a molecular weight of 316.49 g/mol, XLogP of 6.88, 5 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-propylcyclopropyl)methyl]-1H-indene is sourced from PubChem (CID 87381428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).