1-[[3,4-di(propan-2-yl)phenyl]methyl]-2,3-di(propan-2-yl)benzene

C25H36 — CID 157084325

IUPAC1-[[3,4-di(propan-2-yl)phenyl]methyl]-2,3-di(propan-2-yl)benzene
SMILESCC(C)c1ccc(Cc2cccc(C(C)C)c2C(C)C)cc1C(C)C
InChIInChI=1S/C25H36/c1-16(2)22-13-12-20(15-24(22)18(5)6)14-21-10-9-11-23(17(3)4)25(21)19(7)8/h9-13,15-19H,14H2,1-8H3
InChIKeyLRAPJWNJUZJBOM-UHFFFAOYSA-N
MW336.56 g/mol
LogP7.77
Rot. Bonds6

About 1-[[3,4-di(propan-2-yl)phenyl]methyl]-2,3-di(propan-2-yl)benzene

1-[[3,4-di(propan-2-yl)phenyl]methyl]-2,3-di(propan-2-yl)benzene (PubChem CID 157084325) has the molecular formula C25H36 and a molecular weight of 336.56 g/mol. Its IUPAC name is 1-[[3,4-di(propan-2-yl)phenyl]methyl]-2,3-di(propan-2-yl)benzene.

Molecular Properties

Compound Name1-[[3,4-di(propan-2-yl)phenyl]methyl]-2,3-di(propan-2-yl)benzene
PubChem CID157084325
Molecular FormulaC25H36
Molecular Weight336.56 g/mol
Exact Mass336.28
IUPAC Name1-[[3,4-di(propan-2-yl)phenyl]methyl]-2,3-di(propan-2-yl)benzene
SMILESCC(C)c1ccc(Cc2cccc(C(C)C)c2C(C)C)cc1C(C)C
InChIInChI=1S/C25H36/c1-16(2)22-13-12-20(15-24(22)18(5)6)14-21-10-9-11-23(17(3)4)25(21)19(7)8/h9-13,15-19H,14H2,1-8H3
InChIKeyLRAPJWNJUZJBOM-UHFFFAOYSA-N
XLogP7.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-4-[(2-fluorophenyl)methyl]-1-propan-2-ylbenzene
CID 155367036
1-benzyl-2-propan-2-ylbenzene
CID 13215617
1,2-di(propan-2-yl)-3-propylbenzene;hydrogen peroxide
CID 172751409
1-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]benzene
CID 15068594
N-[[2,3-di(propan-2-yl)phenyl]methyl]methanethioamide
CID 173093562
2-[[4-(methylamino)-3-propan-2-ylphenyl]methyl]phenol
CID 132570116
2-[(4-fluoro-3-propan-2-ylphenyl)methyl]-1,3-dimethylbenzene
CID 141114297
bis(1,2-di(propan-2-yl)benzene);propane;1,2,5,6-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,7,8-tetra(propan-2-yl)-9,10-dihydroanthracene;2,3,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene
CID 158195884
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
sulfuryl dichloride;1,2,3-tri(propan-2-yl)benzene
CID 22723821
4-benzyl-6-[(4-hydroxy-3-propan-2-ylphenyl)methyl]benzene-1,2,3-triol
CID 58626406
5-methoxy-1-methyl-3-[(2-methyl-3-propan-2-ylphenyl)methyl]-2-propan-2-ylbenzene
CID 135215833

Frequently Asked Questions

What is the IUPAC name of 1-[[3,4-di(propan-2-yl)phenyl]methyl]-2,3-di(propan-2-yl)benzene?
The IUPAC name of 1-[[3,4-di(propan-2-yl)phenyl]methyl]-2,3-di(propan-2-yl)benzene (CID 157084325) is 1-[[3,4-di(propan-2-yl)phenyl]methyl]-2,3-di(propan-2-yl)benzene.
What is the SMILES notation for 1-[[3,4-di(propan-2-yl)phenyl]methyl]-2,3-di(propan-2-yl)benzene?
The canonical SMILES for 1-[[3,4-di(propan-2-yl)phenyl]methyl]-2,3-di(propan-2-yl)benzene is CC(C)c1ccc(Cc2cccc(C(C)C)c2C(C)C)cc1C(C)C.
What is the InChIKey of 1-[[3,4-di(propan-2-yl)phenyl]methyl]-2,3-di(propan-2-yl)benzene?
The InChIKey is LRAPJWNJUZJBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36/c1-16(2)22-13-12-20(15-24(22)18(5)6)14-21-10-9-11-23(17(3)4)25(21)19(7)8/h9-13,15-19H,14H2,1-8H3.
What are the key properties of 1-[[3,4-di(propan-2-yl)phenyl]methyl]-2,3-di(propan-2-yl)benzene?
1-[[3,4-di(propan-2-yl)phenyl]methyl]-2,3-di(propan-2-yl)benzene has a molecular weight of 336.56 g/mol, XLogP of 7.77, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,4-di(propan-2-yl)phenyl]methyl]-2,3-di(propan-2-yl)benzene is sourced from PubChem (CID 157084325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).