1-methyl-4-(2-methyl-3-phenylpropyl)-2-propan-2-ylbenzene

C20H26 — CID 142148485

IUPAC1-methyl-4-(2-methyl-3-phenylpropyl)-2-propan-2-ylbenzene
SMILESCc1ccc(CC(C)Cc2ccccc2)cc1C(C)C
InChIInChI=1S/C20H26/c1-15(2)20-14-19(11-10-17(20)4)13-16(3)12-18-8-6-5-7-9-18/h5-11,14-16H,12-13H2,1-4H3
InChIKeyBATCQCWPTWNHGM-UHFFFAOYSA-N
MW266.43 g/mol
LogP5.54
Rot. Bonds5

About 1-methyl-4-(2-methyl-3-phenylpropyl)-2-propan-2-ylbenzene

1-methyl-4-(2-methyl-3-phenylpropyl)-2-propan-2-ylbenzene (PubChem CID 142148485) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-methyl-4-(2-methyl-3-phenylpropyl)-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-methyl-4-(2-methyl-3-phenylpropyl)-2-propan-2-ylbenzene
PubChem CID142148485
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name1-methyl-4-(2-methyl-3-phenylpropyl)-2-propan-2-ylbenzene
SMILESCc1ccc(CC(C)Cc2ccccc2)cc1C(C)C
InChIInChI=1S/C20H26/c1-15(2)20-14-19(11-10-17(20)4)13-16(3)12-18-8-6-5-7-9-18/h5-11,14-16H,12-13H2,1-4H3
InChIKeyBATCQCWPTWNHGM-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methyl-3-phenylpropyl)-2-propan-2-ylbenzene?
The IUPAC name of 1-methyl-4-(2-methyl-3-phenylpropyl)-2-propan-2-ylbenzene (CID 142148485) is 1-methyl-4-(2-methyl-3-phenylpropyl)-2-propan-2-ylbenzene.
What is the SMILES notation for 1-methyl-4-(2-methyl-3-phenylpropyl)-2-propan-2-ylbenzene?
The canonical SMILES for 1-methyl-4-(2-methyl-3-phenylpropyl)-2-propan-2-ylbenzene is Cc1ccc(CC(C)Cc2ccccc2)cc1C(C)C.
What is the InChIKey of 1-methyl-4-(2-methyl-3-phenylpropyl)-2-propan-2-ylbenzene?
The InChIKey is BATCQCWPTWNHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-15(2)20-14-19(11-10-17(20)4)13-16(3)12-18-8-6-5-7-9-18/h5-11,14-16H,12-13H2,1-4H3.
What are the key properties of 1-methyl-4-(2-methyl-3-phenylpropyl)-2-propan-2-ylbenzene?
1-methyl-4-(2-methyl-3-phenylpropyl)-2-propan-2-ylbenzene has a molecular weight of 266.43 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methyl-3-phenylpropyl)-2-propan-2-ylbenzene is sourced from PubChem (CID 142148485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).