2-[2-[2-[2-(2,5-dimethylphenyl)ethyl]phenyl]ethyl]-1,4-dimethylbenzene

C26H30 — CID 132604430

IUPAC2-[2-[2-[2-(2,5-dimethylphenyl)ethyl]phenyl]ethyl]-1,4-dimethylbenzene
SMILESCc1ccc(C)c(CCc2ccccc2CCc2cc(C)ccc2C)c1
InChIInChI=1S/C26H30/c1-19-9-11-21(3)25(17-19)15-13-23-7-5-6-8-24(23)14-16-26-18-20(2)10-12-22(26)4/h5-12,17-18H,13-16H2,1-4H3
InChIKeyULMPCPQVPJZWJK-UHFFFAOYSA-N
MW342.53 g/mol
LogP6.49
Rot. Bonds6

About 2-[2-[2-[2-(2,5-dimethylphenyl)ethyl]phenyl]ethyl]-1,4-dimethylbenzene

2-[2-[2-[2-(2,5-dimethylphenyl)ethyl]phenyl]ethyl]-1,4-dimethylbenzene (PubChem CID 132604430) has the molecular formula C26H30 and a molecular weight of 342.53 g/mol. Its IUPAC name is 2-[2-[2-[2-(2,5-dimethylphenyl)ethyl]phenyl]ethyl]-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-[2-[2-[2-(2,5-dimethylphenyl)ethyl]phenyl]ethyl]-1,4-dimethylbenzene
PubChem CID132604430
Molecular FormulaC26H30
Molecular Weight342.53 g/mol
Exact Mass342.23
IUPAC Name2-[2-[2-[2-(2,5-dimethylphenyl)ethyl]phenyl]ethyl]-1,4-dimethylbenzene
SMILESCc1ccc(C)c(CCc2ccccc2CCc2cc(C)ccc2C)c1
InChIInChI=1S/C26H30/c1-19-9-11-21(3)25(17-19)15-13-23-7-5-6-8-24(23)14-16-26-18-20(2)10-12-22(26)4/h5-12,17-18H,13-16H2,1-4H3
InChIKeyULMPCPQVPJZWJK-UHFFFAOYSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.53
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2-chloroethyl)-1,4-dimethylbenzene
CID 53403519
2-[2-(2-hydroxyphenyl)ethyl]-4-methylphenol
CID 154267038
CID 68591460
CID 68591460
1-[2-(2,5-dimethylphenyl)ethyl]-3-ethyl-2-prop-1-en-2-ylbenzene
CID 144628046
2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 62537525
4-[2-(2,5-dimethylphenyl)ethyl]-2-methyl-1-sulfanylindole
CID 142244078
1,4-dimethyl-2-(3-phenylbut-3-enyl)benzene;ethane
CID 142406851
2-(fluoromethyl)-1,4-dimethylbenzene
CID 15724447
CID 68534782
CID 68534782
1-methyl-2-[2-(3-methylphenyl)ethyl]benzene
CID 13419836
2-butyl-1,4-dimethylbenzene;ethane;ethene
CID 177226937
2-(4-bromo-4-phenylbutyl)-1,4-dimethylbenzene
CID 64508120

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2,5-dimethylphenyl)ethyl]phenyl]ethyl]-1,4-dimethylbenzene?
The IUPAC name of 2-[2-[2-[2-(2,5-dimethylphenyl)ethyl]phenyl]ethyl]-1,4-dimethylbenzene (CID 132604430) is 2-[2-[2-[2-(2,5-dimethylphenyl)ethyl]phenyl]ethyl]-1,4-dimethylbenzene.
What is the SMILES notation for 2-[2-[2-[2-(2,5-dimethylphenyl)ethyl]phenyl]ethyl]-1,4-dimethylbenzene?
The canonical SMILES for 2-[2-[2-[2-(2,5-dimethylphenyl)ethyl]phenyl]ethyl]-1,4-dimethylbenzene is Cc1ccc(C)c(CCc2ccccc2CCc2cc(C)ccc2C)c1.
What is the InChIKey of 2-[2-[2-[2-(2,5-dimethylphenyl)ethyl]phenyl]ethyl]-1,4-dimethylbenzene?
The InChIKey is ULMPCPQVPJZWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30/c1-19-9-11-21(3)25(17-19)15-13-23-7-5-6-8-24(23)14-16-26-18-20(2)10-12-22(26)4/h5-12,17-18H,13-16H2,1-4H3.
What are the key properties of 2-[2-[2-[2-(2,5-dimethylphenyl)ethyl]phenyl]ethyl]-1,4-dimethylbenzene?
2-[2-[2-[2-(2,5-dimethylphenyl)ethyl]phenyl]ethyl]-1,4-dimethylbenzene has a molecular weight of 342.53 g/mol, XLogP of 6.49, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2,5-dimethylphenyl)ethyl]phenyl]ethyl]-1,4-dimethylbenzene is sourced from PubChem (CID 132604430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).