1,4-bis[(2-methylphenyl)methyl]-2-propylbenzene

C25H28 — CID 22919653

IUPAC1,4-bis[(2-methylphenyl)methyl]-2-propylbenzene
SMILESCCCc1cc(Cc2ccccc2C)ccc1Cc1ccccc1C
InChIInChI=1S/C25H28/c1-4-9-24-17-21(16-22-12-7-5-10-19(22)2)14-15-25(24)18-23-13-8-6-11-20(23)3/h5-8,10-15,17H,4,9,16,18H2,1-3H3
InChIKeyGYDBYXDMCOYLMZ-UHFFFAOYSA-N
MW328.50 g/mol
LogP6.44
Rot. Bonds6

About 1,4-bis[(2-methylphenyl)methyl]-2-propylbenzene

1,4-bis[(2-methylphenyl)methyl]-2-propylbenzene (PubChem CID 22919653) has the molecular formula C25H28 and a molecular weight of 328.50 g/mol. Its IUPAC name is 1,4-bis[(2-methylphenyl)methyl]-2-propylbenzene.

Molecular Properties

Compound Name1,4-bis[(2-methylphenyl)methyl]-2-propylbenzene
PubChem CID22919653
Molecular FormulaC25H28
Molecular Weight328.50 g/mol
Exact Mass328.22
IUPAC Name1,4-bis[(2-methylphenyl)methyl]-2-propylbenzene
SMILESCCCc1cc(Cc2ccccc2C)ccc1Cc1ccccc1C
InChIInChI=1S/C25H28/c1-4-9-24-17-21(16-22-12-7-5-10-19(22)2)14-15-25(24)18-23-13-8-6-11-20(23)3/h5-8,10-15,17H,4,9,16,18H2,1-3H3
InChIKeyGYDBYXDMCOYLMZ-UHFFFAOYSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-heptyl-1,4-bis[(2-methylphenyl)methyl]benzene
CID 22919353
1-[(2-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]benzene
CID 22919163
1,4-dibenzyl-2-octylbenzene
CID 22921224
ethane;1-fluoro-4-[(2-propylphenyl)methyl]benzene
CID 171834345
4-[[4-[15-[4-[(4-aminophenyl)methyl]-3-propylphenyl]pentadecyl]-2-propylphenyl]methyl]aniline
CID 22920262
2-(2-methylphenyl)-1,3,5-tripropylbenzene
CID 90909135
1-benzyl-2-methylbenzene;hydrochloride
CID 139328614
[4-[(2-methylphenyl)methyl]phenyl]methanol
CID 22408263
1-iodo-4-[(2-methylphenyl)methyl]benzene
CID 67085401
methoxymethanol;1-methyl-2-propylbenzene
CID 145362481
3-[(2-methylphenyl)methyl]aniline
CID 116925822
4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-3-butylphenyl]methyl]phenyl]methyl]phenyl]methyl]aniline
CID 22921039

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(2-methylphenyl)methyl]-2-propylbenzene?
The IUPAC name of 1,4-bis[(2-methylphenyl)methyl]-2-propylbenzene (CID 22919653) is 1,4-bis[(2-methylphenyl)methyl]-2-propylbenzene.
What is the SMILES notation for 1,4-bis[(2-methylphenyl)methyl]-2-propylbenzene?
The canonical SMILES for 1,4-bis[(2-methylphenyl)methyl]-2-propylbenzene is CCCc1cc(Cc2ccccc2C)ccc1Cc1ccccc1C.
What is the InChIKey of 1,4-bis[(2-methylphenyl)methyl]-2-propylbenzene?
The InChIKey is GYDBYXDMCOYLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28/c1-4-9-24-17-21(16-22-12-7-5-10-19(22)2)14-15-25(24)18-23-13-8-6-11-20(23)3/h5-8,10-15,17H,4,9,16,18H2,1-3H3.
What are the key properties of 1,4-bis[(2-methylphenyl)methyl]-2-propylbenzene?
1,4-bis[(2-methylphenyl)methyl]-2-propylbenzene has a molecular weight of 328.50 g/mol, XLogP of 6.44, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(2-methylphenyl)methyl]-2-propylbenzene is sourced from PubChem (CID 22919653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).