1,7-dimethyl-2-(2-propylphenyl)-1H-indene

C20H22 — CID 91805526

IUPAC1,7-dimethyl-2-(2-propylphenyl)-1H-indene
SMILESCCCc1ccccc1C1=Cc2cccc(C)c2C1C
InChIInChI=1S/C20H22/c1-4-8-16-10-5-6-12-18(16)19-13-17-11-7-9-14(2)20(17)15(19)3/h5-7,9-13,15H,4,8H2,1-3H3
InChIKeyWWRITEHPGKMMAZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP5.61
Rot. Bonds3

About 1,7-dimethyl-2-(2-propylphenyl)-1H-indene

1,7-dimethyl-2-(2-propylphenyl)-1H-indene (PubChem CID 91805526) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1,7-dimethyl-2-(2-propylphenyl)-1H-indene.

Molecular Properties

Compound Name1,7-dimethyl-2-(2-propylphenyl)-1H-indene
PubChem CID91805526
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name1,7-dimethyl-2-(2-propylphenyl)-1H-indene
SMILESCCCc1ccccc1C1=Cc2cccc(C)c2C1C
InChIInChI=1S/C20H22/c1-4-8-16-10-5-6-12-18(16)19-13-17-11-7-9-14(2)20(17)15(19)3/h5-7,9-13,15H,4,8H2,1-3H3
InChIKeyWWRITEHPGKMMAZ-UHFFFAOYSA-N
XLogP5.61
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 ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2,3-bis(2-propylphenyl)benzene
CID 123997531
1-methyl-2-(2-methylphenyl)-1H-indene
CID 140997796
2-(2,3-dimethylphenyl)-1-methyl-1H-indene
CID 21095571
2-(1-methyl-1H-inden-2-yl)-3-propyl-1H-phosphole
CID 91803035
1,2-bis(4-methylphenyl)-3-propylbenzene
CID 173306063
2-fluoro-1-methyl-3-propylbenzene
CID 54557935
1-bromo-2-methyl-3-(2-propylphenyl)benzene
CID 156726289
2,4-dimethyl-1-(2-propylphenyl)benzene
CID 123254969
1-propylazulene
CID 10397225
1-butyl-2-(4-methylphenyl)benzene
CID 58626581
ethane;1-methyl-3-(2-propylphenyl)benzene
CID 145018385
1-fluoro-2-(2-propylphenyl)benzene
CID 154059621

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-2-(2-propylphenyl)-1H-indene?
The IUPAC name of 1,7-dimethyl-2-(2-propylphenyl)-1H-indene (CID 91805526) is 1,7-dimethyl-2-(2-propylphenyl)-1H-indene.
What is the SMILES notation for 1,7-dimethyl-2-(2-propylphenyl)-1H-indene?
The canonical SMILES for 1,7-dimethyl-2-(2-propylphenyl)-1H-indene is CCCc1ccccc1C1=Cc2cccc(C)c2C1C.
What is the InChIKey of 1,7-dimethyl-2-(2-propylphenyl)-1H-indene?
The InChIKey is WWRITEHPGKMMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22/c1-4-8-16-10-5-6-12-18(16)19-13-17-11-7-9-14(2)20(17)15(19)3/h5-7,9-13,15H,4,8H2,1-3H3.
What are the key properties of 1,7-dimethyl-2-(2-propylphenyl)-1H-indene?
1,7-dimethyl-2-(2-propylphenyl)-1H-indene has a molecular weight of 262.40 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-2-(2-propylphenyl)-1H-indene is sourced from PubChem (CID 91805526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).