1,4-ditert-butyl-2,5-bis[(4-methylphenyl)methyl]benzene

C30H38 — CID 174009855

IUPAC1,4-ditert-butyl-2,5-bis[(4-methylphenyl)methyl]benzene
SMILESCc1ccc(Cc2cc(C(C)(C)C)c(Cc3ccc(C)cc3)cc2C(C)(C)C)cc1
InChIInChI=1S/C30H38/c1-21-9-13-23(14-10-21)17-25-19-28(30(6,7)8)26(20-27(25)29(3,4)5)18-24-15-11-22(2)12-16-24/h9-16,19-20H,17-18H2,1-8H3
InChIKeyGMVGBSPMTMEICH-UHFFFAOYSA-N
MW398.63 g/mol
LogP8.08
Rot. Bonds4

About 1,4-ditert-butyl-2,5-bis[(4-methylphenyl)methyl]benzene

1,4-ditert-butyl-2,5-bis[(4-methylphenyl)methyl]benzene (PubChem CID 174009855) has the molecular formula C30H38 and a molecular weight of 398.63 g/mol. Its IUPAC name is 1,4-ditert-butyl-2,5-bis[(4-methylphenyl)methyl]benzene.

Molecular Properties

Compound Name1,4-ditert-butyl-2,5-bis[(4-methylphenyl)methyl]benzene
PubChem CID174009855
Molecular FormulaC30H38
Molecular Weight398.63 g/mol
Exact Mass398.30
IUPAC Name1,4-ditert-butyl-2,5-bis[(4-methylphenyl)methyl]benzene
SMILESCc1ccc(Cc2cc(C(C)(C)C)c(Cc3ccc(C)cc3)cc2C(C)(C)C)cc1
InChIInChI=1S/C30H38/c1-21-9-13-23(14-10-21)17-25-19-28(30(6,7)8)26(20-27(25)29(3,4)5)18-24-15-11-22(2)12-16-24/h9-16,19-20H,17-18H2,1-8H3
InChIKeyGMVGBSPMTMEICH-UHFFFAOYSA-N
XLogP8.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.63
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-benzyl-4,5-ditert-butylphenol
CID 21430785
1,2,3,4-tetrafluoro-5-[(4-methylphenyl)methyl]benzene
CID 89328807
2-fluoro-1,4-bis[(4-methylphenyl)methyl]benzene
CID 134273598
4,6-bis[(4-methylphenyl)methyl]benzene-1,3-dicarboxylic acid
CID 22269445
2-fluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene
CID 134273599
1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 161043198
[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methanol
CID 91159196
5-methyl-2-[(4-methylphenyl)methyl]benzoic acid
CID 15740404
1-[(2,3-difluoro-4-methylphenyl)methyl]-2,3-difluoro-4-[(4-methylphenyl)methyl]benzene
CID 134273625
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-2-one
CID 63409816
4-[(2,4-dimethylphenyl)methyl]benzoic acid
CID 116927178
2,4-ditert-butyl-6-[(4-tert-butylphenyl)methyl]phenol
CID 11792333

Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butyl-2,5-bis[(4-methylphenyl)methyl]benzene?
The IUPAC name of 1,4-ditert-butyl-2,5-bis[(4-methylphenyl)methyl]benzene (CID 174009855) is 1,4-ditert-butyl-2,5-bis[(4-methylphenyl)methyl]benzene.
What is the SMILES notation for 1,4-ditert-butyl-2,5-bis[(4-methylphenyl)methyl]benzene?
The canonical SMILES for 1,4-ditert-butyl-2,5-bis[(4-methylphenyl)methyl]benzene is Cc1ccc(Cc2cc(C(C)(C)C)c(Cc3ccc(C)cc3)cc2C(C)(C)C)cc1.
What is the InChIKey of 1,4-ditert-butyl-2,5-bis[(4-methylphenyl)methyl]benzene?
The InChIKey is GMVGBSPMTMEICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38/c1-21-9-13-23(14-10-21)17-25-19-28(30(6,7)8)26(20-27(25)29(3,4)5)18-24-15-11-22(2)12-16-24/h9-16,19-20H,17-18H2,1-8H3.
What are the key properties of 1,4-ditert-butyl-2,5-bis[(4-methylphenyl)methyl]benzene?
1,4-ditert-butyl-2,5-bis[(4-methylphenyl)methyl]benzene has a molecular weight of 398.63 g/mol, XLogP of 8.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butyl-2,5-bis[(4-methylphenyl)methyl]benzene is sourced from PubChem (CID 174009855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).