2-(1-bicyclo[2.2.1]heptanylmethyl)-4-(3,5-dimethylphenyl)-1H-indene

C25H28 — CID 87473332

IUPAC2-(1-bicyclo[2.2.1]heptanylmethyl)-4-(3,5-dimethylphenyl)-1H-indene
SMILESCc1cc(C)cc(-c2cccc3c2C=C(CC24CCC(CC2)C4)C3)c1
InChIInChI=1S/C25H28/c1-17-10-18(2)12-22(11-17)23-5-3-4-21-13-20(14-24(21)23)16-25-8-6-19(15-25)7-9-25/h3-5,10-12,14,19H,6-9,13,15-16H2,1-2H3
InChIKeyXDVKASYSHHORCP-UHFFFAOYSA-N
MW328.50 g/mol
LogP6.88
Rot. Bonds3

About 2-(1-bicyclo[2.2.1]heptanylmethyl)-4-(3,5-dimethylphenyl)-1H-indene

2-(1-bicyclo[2.2.1]heptanylmethyl)-4-(3,5-dimethylphenyl)-1H-indene (PubChem CID 87473332) has the molecular formula C25H28 and a molecular weight of 328.50 g/mol. Its IUPAC name is 2-(1-bicyclo[2.2.1]heptanylmethyl)-4-(3,5-dimethylphenyl)-1H-indene.

Molecular Properties

Compound Name2-(1-bicyclo[2.2.1]heptanylmethyl)-4-(3,5-dimethylphenyl)-1H-indene
PubChem CID87473332
Molecular FormulaC25H28
Molecular Weight328.50 g/mol
Exact Mass328.22
IUPAC Name2-(1-bicyclo[2.2.1]heptanylmethyl)-4-(3,5-dimethylphenyl)-1H-indene
SMILESCc1cc(C)cc(-c2cccc3c2C=C(CC24CCC(CC2)C4)C3)c1
InChIInChI=1S/C25H28/c1-17-10-18(2)12-22(11-17)23-5-3-4-21-13-20(14-24(21)23)16-25-8-6-19(15-25)7-9-25/h3-5,10-12,14,19H,6-9,13,15-16H2,1-2H3
InChIKeyXDVKASYSHHORCP-UHFFFAOYSA-N
XLogP6.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 56.88
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
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-[2-[(1-ethylcyclopentyl)methyl]-1H-inden-4-yl]naphthalene
CID 87381641
2-ethyl-4-(3-fluorophenyl)-1H-indene
CID 173192641
4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-1H-indene;carbanide;zirconium(2+)
CID 175436498
[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
4-(3,5-diphenylphenyl)-2-methyl-1H-indene
CID 141047281
dimethyl-[2-(4-phenyl-1H-inden-2-yl)ethylidene]silane
CID 150701216
4-(4-chlorophenyl)-2-ethyl-1H-indene
CID 18008260
1-[2-[(1-ethylcyclobutyl)methyl]-1H-inden-4-yl]naphthalene
CID 87381334

Frequently Asked Questions

What is the IUPAC name of 2-(1-bicyclo[2.2.1]heptanylmethyl)-4-(3,5-dimethylphenyl)-1H-indene?
The IUPAC name of 2-(1-bicyclo[2.2.1]heptanylmethyl)-4-(3,5-dimethylphenyl)-1H-indene (CID 87473332) is 2-(1-bicyclo[2.2.1]heptanylmethyl)-4-(3,5-dimethylphenyl)-1H-indene.
What is the SMILES notation for 2-(1-bicyclo[2.2.1]heptanylmethyl)-4-(3,5-dimethylphenyl)-1H-indene?
The canonical SMILES for 2-(1-bicyclo[2.2.1]heptanylmethyl)-4-(3,5-dimethylphenyl)-1H-indene is Cc1cc(C)cc(-c2cccc3c2C=C(CC24CCC(CC2)C4)C3)c1.
What is the InChIKey of 2-(1-bicyclo[2.2.1]heptanylmethyl)-4-(3,5-dimethylphenyl)-1H-indene?
The InChIKey is XDVKASYSHHORCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28/c1-17-10-18(2)12-22(11-17)23-5-3-4-21-13-20(14-24(21)23)16-25-8-6-19(15-25)7-9-25/h3-5,10-12,14,19H,6-9,13,15-16H2,1-2H3.
What are the key properties of 2-(1-bicyclo[2.2.1]heptanylmethyl)-4-(3,5-dimethylphenyl)-1H-indene?
2-(1-bicyclo[2.2.1]heptanylmethyl)-4-(3,5-dimethylphenyl)-1H-indene has a molecular weight of 328.50 g/mol, XLogP of 6.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bicyclo[2.2.1]heptanylmethyl)-4-(3,5-dimethylphenyl)-1H-indene is sourced from PubChem (CID 87473332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).