1-[(4-ethylphenyl)methyl]-4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzene

C30H30 — CID 23525828

IUPAC1-[(4-ethylphenyl)methyl]-4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzene
SMILESCCc1ccc(Cc2ccc(Cc3ccc(Cc4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C30H30/c1-3-24-8-10-26(11-9-24)21-28-16-18-30(19-17-28)22-29-14-12-27(13-15-29)20-25-6-4-23(2)5-7-25/h4-19H,3,20-22H2,1-2H3
InChIKeyUTOFYNXZGKNKEN-UHFFFAOYSA-N
MW390.57 g/mol
LogP7.33
Rot. Bonds7

About 1-[(4-ethylphenyl)methyl]-4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzene

1-[(4-ethylphenyl)methyl]-4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzene (PubChem CID 23525828) has the molecular formula C30H30 and a molecular weight of 390.57 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]-4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzene.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]-4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzene
PubChem CID23525828
Molecular FormulaC30H30
Molecular Weight390.57 g/mol
Exact Mass390.23
IUPAC Name1-[(4-ethylphenyl)methyl]-4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzene
SMILESCCc1ccc(Cc2ccc(Cc3ccc(Cc4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C30H30/c1-3-24-8-10-26(11-9-24)21-28-16-18-30(19-17-28)22-29-14-12-27(13-15-29)20-25-6-4-23(2)5-7-25/h4-19H,3,20-22H2,1-2H3
InChIKeyUTOFYNXZGKNKEN-UHFFFAOYSA-N
XLogP7.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 161043198
bis(1-ethyl-4-methylbenzene);hydrate
CID 175281588
1-ethyl-4-methylbenzene;propane
CID 144580802
4-ethylaniline;methane;4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]aniline
CID 157414016
methane;1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 162237370
ethane;1-ethyl-4-methylbenzene;fluoromethane
CID 142146910
1,4-bis[(4-ethylphenyl)methyl]benzene;ethane;1-ethyl-4-[[4-[4-[(4-ethylphenyl)methyl]phenyl]phenyl]methyl]benzene
CID 163605506
ethane;ethylbenzene;methane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,4-xylene
CID 159108053
1-ethyl-4-methylbenzene;1,2,3,4,5-pentamethylcyclopentane
CID 91344204
1-ethyl-4-methylbenzene;hydroxy(methyl)silane
CID 160772634
ethylbenzene;1-ethyl-4-methylbenzene;propane
CID 160625021
1-ethyl-4-methylcyclodeca-1,3,5,7,9-pentaene
CID 123858491

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]-4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzene?
The IUPAC name of 1-[(4-ethylphenyl)methyl]-4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzene (CID 23525828) is 1-[(4-ethylphenyl)methyl]-4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzene.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]-4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzene?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]-4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzene is CCc1ccc(Cc2ccc(Cc3ccc(Cc4ccc(C)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]-4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzene?
The InChIKey is UTOFYNXZGKNKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30/c1-3-24-8-10-26(11-9-24)21-28-16-18-30(19-17-28)22-29-14-12-27(13-15-29)20-25-6-4-23(2)5-7-25/h4-19H,3,20-22H2,1-2H3.
What are the key properties of 1-[(4-ethylphenyl)methyl]-4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzene?
1-[(4-ethylphenyl)methyl]-4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzene has a molecular weight of 390.57 g/mol, XLogP of 7.33, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]-4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzene is sourced from PubChem (CID 23525828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).