1-ethyl-4-[2-[4-(2-propan-2-ylcyclopropyl)phenyl]butan-2-yl]benzene

C24H32 — CID 163766183

IUPAC1-ethyl-4-[2-[4-(2-propan-2-ylcyclopropyl)phenyl]butan-2-yl]benzene
SMILESCCc1ccc(C(C)(CC)c2ccc(C3CC3C(C)C)cc2)cc1
InChIInChI=1S/C24H32/c1-6-18-8-12-20(13-9-18)24(5,7-2)21-14-10-19(11-15-21)23-16-22(23)17(3)4/h8-15,17,22-23H,6-7,16H2,1-5H3
InChIKeyMCLVFXYYZIVKPY-UHFFFAOYSA-N
MW320.52 g/mol
LogP6.72
Rot. Bonds6

About 1-ethyl-4-[2-[4-(2-propan-2-ylcyclopropyl)phenyl]butan-2-yl]benzene

1-ethyl-4-[2-[4-(2-propan-2-ylcyclopropyl)phenyl]butan-2-yl]benzene (PubChem CID 163766183) has the molecular formula C24H32 and a molecular weight of 320.52 g/mol. Its IUPAC name is 1-ethyl-4-[2-[4-(2-propan-2-ylcyclopropyl)phenyl]butan-2-yl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[2-[4-(2-propan-2-ylcyclopropyl)phenyl]butan-2-yl]benzene
PubChem CID163766183
Molecular FormulaC24H32
Molecular Weight320.52 g/mol
Exact Mass320.25
IUPAC Name1-ethyl-4-[2-[4-(2-propan-2-ylcyclopropyl)phenyl]butan-2-yl]benzene
SMILESCCc1ccc(C(C)(CC)c2ccc(C3CC3C(C)C)cc2)cc1
InChIInChI=1S/C24H32/c1-6-18-8-12-20(13-9-18)24(5,7-2)21-14-10-19(11-15-21)23-16-22(23)17(3)4/h8-15,17,22-23H,6-7,16H2,1-5H3
InChIKeyMCLVFXYYZIVKPY-UHFFFAOYSA-N
XLogP6.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.52
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-[4-(2-propan-2-ylcyclopropyl)phenyl]butan-2-yl]benzene?
The IUPAC name of 1-ethyl-4-[2-[4-(2-propan-2-ylcyclopropyl)phenyl]butan-2-yl]benzene (CID 163766183) is 1-ethyl-4-[2-[4-(2-propan-2-ylcyclopropyl)phenyl]butan-2-yl]benzene.
What is the SMILES notation for 1-ethyl-4-[2-[4-(2-propan-2-ylcyclopropyl)phenyl]butan-2-yl]benzene?
The canonical SMILES for 1-ethyl-4-[2-[4-(2-propan-2-ylcyclopropyl)phenyl]butan-2-yl]benzene is CCc1ccc(C(C)(CC)c2ccc(C3CC3C(C)C)cc2)cc1.
What is the InChIKey of 1-ethyl-4-[2-[4-(2-propan-2-ylcyclopropyl)phenyl]butan-2-yl]benzene?
The InChIKey is MCLVFXYYZIVKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32/c1-6-18-8-12-20(13-9-18)24(5,7-2)21-14-10-19(11-15-21)23-16-22(23)17(3)4/h8-15,17,22-23H,6-7,16H2,1-5H3.
What are the key properties of 1-ethyl-4-[2-[4-(2-propan-2-ylcyclopropyl)phenyl]butan-2-yl]benzene?
1-ethyl-4-[2-[4-(2-propan-2-ylcyclopropyl)phenyl]butan-2-yl]benzene has a molecular weight of 320.52 g/mol, XLogP of 6.72, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-[4-(2-propan-2-ylcyclopropyl)phenyl]butan-2-yl]benzene is sourced from PubChem (CID 163766183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).