2,6-dimethyl-4-(4-propylphenyl)-1H-indene

C20H22 — CID 87521295

IUPAC2,6-dimethyl-4-(4-propylphenyl)-1H-indene
SMILESCCCc1ccc(-c2cc(C)cc3c2C=C(C)C3)cc1
InChIInChI=1S/C20H22/c1-4-5-16-6-8-17(9-7-16)19-12-14(2)10-18-11-15(3)13-20(18)19/h6-10,12-13H,4-5,11H2,1-3H3
InChIKeyIPFDIBXYAPWZKS-UHFFFAOYSA-N
MW262.40 g/mol
LogP5.57
Rot. Bonds3

About 2,6-dimethyl-4-(4-propylphenyl)-1H-indene

2,6-dimethyl-4-(4-propylphenyl)-1H-indene (PubChem CID 87521295) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2,6-dimethyl-4-(4-propylphenyl)-1H-indene.

Molecular Properties

Compound Name2,6-dimethyl-4-(4-propylphenyl)-1H-indene
PubChem CID87521295
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name2,6-dimethyl-4-(4-propylphenyl)-1H-indene
SMILESCCCc1ccc(-c2cc(C)cc3c2C=C(C)C3)cc1
InChIInChI=1S/C20H22/c1-4-5-16-6-8-17(9-7-16)19-12-14(2)10-18-11-15(3)13-20(18)19/h6-10,12-13H,4-5,11H2,1-3H3
InChIKeyIPFDIBXYAPWZKS-UHFFFAOYSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.40
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

dichlorozirconium;2,6-dimethyl-4-phenyl-1H-indene
CID 174528512
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
2-phenyl-4-(4-propylphenyl)-1H-indene;zirconium
CID 174563339
trimethoxy-[2-[4-(2-methyl-1H-inden-4-yl)phenyl]ethyl]silane
CID 156900254
2-hexyl-4-(4-propylphenyl)-1H-indene
CID 22507887
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006
1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene
CID 143481088
1-methyl-3-[4-(4-propylphenyl)phenyl]benzene
CID 123480159
5-methyl-2-(4-propylphenyl)aniline
CID 82766529
trimethyl-(2-methyl-7-phenyl-3H-inden-5-yl)azanium
CID 173242398
1-methyl-4-propylbenzene;trifluoroalumane
CID 174704537
1-methyl-4-propylbenzene;molecular fluorine
CID 167533310

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(4-propylphenyl)-1H-indene?
The IUPAC name of 2,6-dimethyl-4-(4-propylphenyl)-1H-indene (CID 87521295) is 2,6-dimethyl-4-(4-propylphenyl)-1H-indene.
What is the SMILES notation for 2,6-dimethyl-4-(4-propylphenyl)-1H-indene?
The canonical SMILES for 2,6-dimethyl-4-(4-propylphenyl)-1H-indene is CCCc1ccc(-c2cc(C)cc3c2C=C(C)C3)cc1.
What is the InChIKey of 2,6-dimethyl-4-(4-propylphenyl)-1H-indene?
The InChIKey is IPFDIBXYAPWZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22/c1-4-5-16-6-8-17(9-7-16)19-12-14(2)10-18-11-15(3)13-20(18)19/h6-10,12-13H,4-5,11H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-(4-propylphenyl)-1H-indene?
2,6-dimethyl-4-(4-propylphenyl)-1H-indene has a molecular weight of 262.40 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(4-propylphenyl)-1H-indene is sourced from PubChem (CID 87521295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).