1-(3-methylpentan-3-yl)-4-[1-(4-propan-2-ylphenyl)ethyl]benzene

C23H32 — CID 163649969

IUPAC1-(3-methylpentan-3-yl)-4-[1-(4-propan-2-ylphenyl)ethyl]benzene
SMILESCCC(C)(CC)c1ccc(C(C)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C23H32/c1-7-23(6,8-2)22-15-13-21(14-16-22)18(5)20-11-9-19(10-12-20)17(3)4/h9-18H,7-8H2,1-6H3
InChIKeyILKWDOIHUUWURT-UHFFFAOYSA-N
MW308.51 g/mol
LogP7.04
Rot. Bonds6

About 1-(3-methylpentan-3-yl)-4-[1-(4-propan-2-ylphenyl)ethyl]benzene

1-(3-methylpentan-3-yl)-4-[1-(4-propan-2-ylphenyl)ethyl]benzene (PubChem CID 163649969) has the molecular formula C23H32 and a molecular weight of 308.51 g/mol. Its IUPAC name is 1-(3-methylpentan-3-yl)-4-[1-(4-propan-2-ylphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-(3-methylpentan-3-yl)-4-[1-(4-propan-2-ylphenyl)ethyl]benzene
PubChem CID163649969
Molecular FormulaC23H32
Molecular Weight308.51 g/mol
Exact Mass308.25
IUPAC Name1-(3-methylpentan-3-yl)-4-[1-(4-propan-2-ylphenyl)ethyl]benzene
SMILESCCC(C)(CC)c1ccc(C(C)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C23H32/c1-7-23(6,8-2)22-15-13-21(14-16-22)18(5)20-11-9-19(10-12-20)17(3)4/h9-18H,7-8H2,1-6H3
InChIKeyILKWDOIHUUWURT-UHFFFAOYSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpentan-3-yl)-4-[1-(4-propan-2-ylphenyl)ethyl]benzene?
The IUPAC name of 1-(3-methylpentan-3-yl)-4-[1-(4-propan-2-ylphenyl)ethyl]benzene (CID 163649969) is 1-(3-methylpentan-3-yl)-4-[1-(4-propan-2-ylphenyl)ethyl]benzene.
What is the SMILES notation for 1-(3-methylpentan-3-yl)-4-[1-(4-propan-2-ylphenyl)ethyl]benzene?
The canonical SMILES for 1-(3-methylpentan-3-yl)-4-[1-(4-propan-2-ylphenyl)ethyl]benzene is CCC(C)(CC)c1ccc(C(C)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 1-(3-methylpentan-3-yl)-4-[1-(4-propan-2-ylphenyl)ethyl]benzene?
The InChIKey is ILKWDOIHUUWURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32/c1-7-23(6,8-2)22-15-13-21(14-16-22)18(5)20-11-9-19(10-12-20)17(3)4/h9-18H,7-8H2,1-6H3.
What are the key properties of 1-(3-methylpentan-3-yl)-4-[1-(4-propan-2-ylphenyl)ethyl]benzene?
1-(3-methylpentan-3-yl)-4-[1-(4-propan-2-ylphenyl)ethyl]benzene has a molecular weight of 308.51 g/mol, XLogP of 7.04, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpentan-3-yl)-4-[1-(4-propan-2-ylphenyl)ethyl]benzene is sourced from PubChem (CID 163649969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).