1,3-bis[(2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene

C26H30 — CID 20734489

IUPAC1,3-bis[(2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene
SMILESCc1ccc(C)c(Cc2cc(C)cc(Cc3cc(C)ccc3C)c2C)c1
InChIInChI=1S/C26H30/c1-17-7-9-20(4)23(11-17)15-25-13-19(3)14-26(22(25)6)16-24-12-18(2)8-10-21(24)5/h7-14H,15-16H2,1-6H3
InChIKeyYSSMTLLQSJMBSL-UHFFFAOYSA-N
MW342.53 g/mol
LogP6.72
Rot. Bonds4

About 1,3-bis[(2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene

1,3-bis[(2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene (PubChem CID 20734489) has the molecular formula C26H30 and a molecular weight of 342.53 g/mol. Its IUPAC name is 1,3-bis[(2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene.

Molecular Properties

Compound Name1,3-bis[(2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene
PubChem CID20734489
Molecular FormulaC26H30
Molecular Weight342.53 g/mol
Exact Mass342.23
IUPAC Name1,3-bis[(2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene
SMILESCc1ccc(C)c(Cc2cc(C)cc(Cc3cc(C)ccc3C)c2C)c1
InChIInChI=1S/C26H30/c1-17-7-9-20(4)23(11-17)15-25-13-19(3)14-26(22(25)6)16-24-12-18(2)8-10-21(24)5/h7-14H,15-16H2,1-6H3
InChIKeyYSSMTLLQSJMBSL-UHFFFAOYSA-N
XLogP6.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.53
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(2,5-dimethylphenyl)methyl]-5-[[3-[(2,5-dimethylphenyl)methyl]-4,5-dimethylphenyl]methyl]-2,3-dimethylbenzene
CID 163739903
1-chloro-3-[(2,5-dimethylphenyl)methyl]-2-methylbenzene
CID 22768598
1-[(2,5-dimethylphenyl)methyl]-3,6-dimethylidenecyclohexa-1,4-diene
CID 123489661
4-methyl-2-[(2,3,5-trimethylphenyl)methyl]phenol
CID 21015145
2-(fluoromethyl)-1,4-dimethylbenzene
CID 15724447
1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane
CID 142925583
2-[(2-hydroxy-5-methylphenyl)methyl]-4-[[3-[(2-hydroxy-5-methylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol
CID 143901407
2-(bromomethyl)-1,4-dimethylbenzene;methane
CID 178158630
2-(cyclopenta-1,3-dien-1-ylmethyl)-1,4-dimethylbenzene
CID 140587752
1-ethyl-3,5-dimethylbenzene;2-ethyl-1,4-dimethylbenzene
CID 160945990
1,4-dimethyl-2-(methylsulfanylmethyl)benzene
CID 11768926
2-(2-chloroethyl)-1,4-dimethylbenzene
CID 53403519

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene?
The IUPAC name of 1,3-bis[(2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene (CID 20734489) is 1,3-bis[(2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene.
What is the SMILES notation for 1,3-bis[(2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene?
The canonical SMILES for 1,3-bis[(2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene is Cc1ccc(C)c(Cc2cc(C)cc(Cc3cc(C)ccc3C)c2C)c1.
What is the InChIKey of 1,3-bis[(2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene?
The InChIKey is YSSMTLLQSJMBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30/c1-17-7-9-20(4)23(11-17)15-25-13-19(3)14-26(22(25)6)16-24-12-18(2)8-10-21(24)5/h7-14H,15-16H2,1-6H3.
What are the key properties of 1,3-bis[(2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene?
1,3-bis[(2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene has a molecular weight of 342.53 g/mol, XLogP of 6.72, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene is sourced from PubChem (CID 20734489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).