3-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]-5,6-dihydro-1H-indene

C21H24 — CID 154688154

IUPAC3-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]-5,6-dihydro-1H-indene
SMILESCc1ccc(C)c(CC2C=C(C3CC3)C3=CCCC=C32)c1
InChIInChI=1S/C21H24/c1-14-7-8-15(2)17(11-14)12-18-13-21(16-9-10-16)20-6-4-3-5-19(18)20/h5-8,11,13,16,18H,3-4,9-10,12H2,1-2H3
InChIKeyVQKQKALHNRXELT-UHFFFAOYSA-N
MW276.42 g/mol
LogP5.46
Rot. Bonds3

About 3-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]-5,6-dihydro-1H-indene

3-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]-5,6-dihydro-1H-indene (PubChem CID 154688154) has the molecular formula C21H24 and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]-5,6-dihydro-1H-indene.

Molecular Properties

Compound Name3-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]-5,6-dihydro-1H-indene
PubChem CID154688154
Molecular FormulaC21H24
Molecular Weight276.42 g/mol
Exact Mass276.19
IUPAC Name3-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]-5,6-dihydro-1H-indene
SMILESCc1ccc(C)c(CC2C=C(C3CC3)C3=CCCC=C32)c1
InChIInChI=1S/C21H24/c1-14-7-8-15(2)17(11-14)12-18-13-21(16-9-10-16)20-6-4-3-5-19(18)20/h5-8,11,13,16,18H,3-4,9-10,12H2,1-2H3
InChIKeyVQKQKALHNRXELT-UHFFFAOYSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.42
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]-5,6-dihydro-1H-indene?
The IUPAC name of 3-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]-5,6-dihydro-1H-indene (CID 154688154) is 3-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]-5,6-dihydro-1H-indene.
What is the SMILES notation for 3-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]-5,6-dihydro-1H-indene?
The canonical SMILES for 3-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]-5,6-dihydro-1H-indene is Cc1ccc(C)c(CC2C=C(C3CC3)C3=CCCC=C32)c1.
What is the InChIKey of 3-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]-5,6-dihydro-1H-indene?
The InChIKey is VQKQKALHNRXELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24/c1-14-7-8-15(2)17(11-14)12-18-13-21(16-9-10-16)20-6-4-3-5-19(18)20/h5-8,11,13,16,18H,3-4,9-10,12H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]-5,6-dihydro-1H-indene?
3-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]-5,6-dihydro-1H-indene has a molecular weight of 276.42 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]-5,6-dihydro-1H-indene is sourced from PubChem (CID 154688154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).