2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-[(4-methylphenyl)methyl]benzene

C25H28 — CID 22892261

IUPAC2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-[(4-methylphenyl)methyl]benzene
SMILESCc1ccc(CCc2ccc(Cc3ccc(C)cc3)c(C)c2C)cc1
InChIInChI=1S/C25H28/c1-18-5-9-22(10-6-18)13-14-24-15-16-25(21(4)20(24)3)17-23-11-7-19(2)8-12-23/h5-12,15-16H,13-14,17H2,1-4H3
InChIKeyPXIVQTYBMHPCBP-UHFFFAOYSA-N
MW328.50 g/mol
LogP6.30
Rot. Bonds5

About 2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-[(4-methylphenyl)methyl]benzene

2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-[(4-methylphenyl)methyl]benzene (PubChem CID 22892261) has the molecular formula C25H28 and a molecular weight of 328.50 g/mol. Its IUPAC name is 2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-[(4-methylphenyl)methyl]benzene.

Molecular Properties

Compound Name2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-[(4-methylphenyl)methyl]benzene
PubChem CID22892261
Molecular FormulaC25H28
Molecular Weight328.50 g/mol
Exact Mass328.22
IUPAC Name2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-[(4-methylphenyl)methyl]benzene
SMILESCc1ccc(CCc2ccc(Cc3ccc(C)cc3)c(C)c2C)cc1
InChIInChI=1S/C25H28/c1-18-5-9-22(10-6-18)13-14-24-15-16-25(21(4)20(24)3)17-23-11-7-19(2)8-12-23/h5-12,15-16H,13-14,17H2,1-4H3
InChIKeyPXIVQTYBMHPCBP-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-propylbenzene
CID 59876774
1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane
CID 91266439
1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
CID 4174966
1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 161043198
2,3-difluoro-4-[2-(4-methylphenyl)ethyl]aniline
CID 142384590
1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene
CID 144561335
1-iodo-4-[2-(4-methylphenyl)ethyl]benzene
CID 118487182
2-fluoro-1,4-bis[(4-methylphenyl)methyl]benzene
CID 134273598
1-[(2,3-difluoro-4-methylphenyl)methyl]-2,3-difluoro-4-[(4-methylphenyl)methyl]benzene
CID 134273625
1,2-dimethyl-4-[2-(4-methylphenyl)ethyl]-5-propylbenzene
CID 168781285
1,3-dimethyl-2-[2-(4-methylphenyl)ethyl]benzene
CID 143282666
1-butyl-4-methylbenzene;N-methylmethanamine
CID 143818952

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-[(4-methylphenyl)methyl]benzene?
The IUPAC name of 2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-[(4-methylphenyl)methyl]benzene (CID 22892261) is 2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-[(4-methylphenyl)methyl]benzene.
What is the SMILES notation for 2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-[(4-methylphenyl)methyl]benzene?
The canonical SMILES for 2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-[(4-methylphenyl)methyl]benzene is Cc1ccc(CCc2ccc(Cc3ccc(C)cc3)c(C)c2C)cc1.
What is the InChIKey of 2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-[(4-methylphenyl)methyl]benzene?
The InChIKey is PXIVQTYBMHPCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28/c1-18-5-9-22(10-6-18)13-14-24-15-16-25(21(4)20(24)3)17-23-11-7-19(2)8-12-23/h5-12,15-16H,13-14,17H2,1-4H3.
What are the key properties of 2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-[(4-methylphenyl)methyl]benzene?
2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-[(4-methylphenyl)methyl]benzene has a molecular weight of 328.50 g/mol, XLogP of 6.30, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-[(4-methylphenyl)methyl]benzene is sourced from PubChem (CID 22892261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).