1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene

C22H30 — CID 11044622

IUPAC1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
SMILESCC(C)Cc1ccc(C(C)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C22H30/c1-16(2)14-19-6-10-21(11-7-19)18(5)22-12-8-20(9-13-22)15-17(3)4/h6-13,16-18H,14-15H2,1-5H3
InChIKeyZBIVAPCIGWNIEH-UHFFFAOYSA-N
MW294.48 g/mol
LogP6.24
Rot. Bonds6

About 1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene

1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene (PubChem CID 11044622) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
PubChem CID11044622
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Name1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
SMILESCC(C)Cc1ccc(C(C)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C22H30/c1-16(2)14-19-6-10-21(11-7-19)18(5)22-12-8-20(9-13-22)15-17(3)4/h6-13,16-18H,14-15H2,1-5H3
InChIKeyZBIVAPCIGWNIEH-UHFFFAOYSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 144724990
1-[(2S)-1-bromopropan-2-yl]-4-(2-methylpropyl)benzene
CID 11043315
1-[bromo-(4-ethylphenyl)methyl]-4-(2-methylpropyl)benzene
CID 63435881
(4-ethylphenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 43109928
1-ethyl-4-(2-methylpropyl)benzene;methane;propane
CID 154659572
1-(4-ethylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480542
1-(1-chloropropyl)-4-(2-methylpropyl)benzene
CID 11745911
2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 43093450
1-(1-chloro-3-methylbutyl)-4-(2-methylpropyl)benzene
CID 63430577
[4-(2-methylpropyl)phenyl]methylphosphane
CID 69020974
1-[bromo(phenyl)methyl]-4-(2-methylpropyl)benzene
CID 19010746
[4-(2-methylpropyl)phenyl]-phenylmethanamine
CID 43198176

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene?
The IUPAC name of 1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene (CID 11044622) is 1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene.
What is the SMILES notation for 1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene?
The canonical SMILES for 1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene is CC(C)Cc1ccc(C(C)c2ccc(CC(C)C)cc2)cc1.
What is the InChIKey of 1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene?
The InChIKey is ZBIVAPCIGWNIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30/c1-16(2)14-19-6-10-21(11-7-19)18(5)22-12-8-20(9-13-22)15-17(3)4/h6-13,16-18H,14-15H2,1-5H3.
What are the key properties of 1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene?
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene has a molecular weight of 294.48 g/mol, XLogP of 6.24, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene is sourced from PubChem (CID 11044622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).