1-pentan-3-yl-2-(2-phenylpropan-2-yl)benzene

C20H26 — CID 173025915

IUPAC1-pentan-3-yl-2-(2-phenylpropan-2-yl)benzene
SMILESCCC(CC)c1ccccc1C(C)(C)c1ccccc1
InChIInChI=1S/C20H26/c1-5-16(6-2)18-14-10-11-15-19(18)20(3,4)17-12-8-7-9-13-17/h7-16H,5-6H2,1-4H3
InChIKeyYGCNUPGGCCDXMC-UHFFFAOYSA-N
MW266.43 g/mol
LogP5.92
Rot. Bonds5

About 1-pentan-3-yl-2-(2-phenylpropan-2-yl)benzene

1-pentan-3-yl-2-(2-phenylpropan-2-yl)benzene (PubChem CID 173025915) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-pentan-3-yl-2-(2-phenylpropan-2-yl)benzene.

Molecular Properties

Compound Name1-pentan-3-yl-2-(2-phenylpropan-2-yl)benzene
PubChem CID173025915
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name1-pentan-3-yl-2-(2-phenylpropan-2-yl)benzene
SMILESCCC(CC)c1ccccc1C(C)(C)c1ccccc1
InChIInChI=1S/C20H26/c1-5-16(6-2)18-14-10-11-15-19(18)20(3,4)17-12-8-7-9-13-17/h7-16H,5-6H2,1-4H3
InChIKeyYGCNUPGGCCDXMC-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-phenylpropan-2-yl)-2-[2-(2-phenylpropan-2-yl)phenyl]sulfanylbenzene
CID 156695476
ethane;1-methyl-4-[1-[2-(2-phenylpropan-2-yl)phenyl]ethyl]benzene
CID 143180258
2-phenylpropan-2-ylbenzene
CID 13065
benzene;2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174709888
2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174697950
ethoxyethane;2-(2-phenylpropan-2-yl)phenol
CID 126484848
1-(2-phenylpropan-2-yl)-2,4-di(propan-2-yl)benzene
CID 170780571
3-heptan-4-yl-2-(2-phenylpropan-2-yl)phenol
CID 66866433
2-[2-[4-[2-(2-aminophenyl)propan-2-yl]phenyl]propan-2-yl]aniline
CID 18997970
2-[2-[1-[2-(1-hydroxy-2-methylpropan-2-yl)phenyl]propyl]phenyl]-2-methylpropan-1-ol
CID 70404837
2-[2-(2-tridecan-7-ylphenyl)propan-2-yl]phenol
CID 66866746
ethane;3-methylpentan-3-ylbenzene
CID 90745317

Frequently Asked Questions

What is the IUPAC name of 1-pentan-3-yl-2-(2-phenylpropan-2-yl)benzene?
The IUPAC name of 1-pentan-3-yl-2-(2-phenylpropan-2-yl)benzene (CID 173025915) is 1-pentan-3-yl-2-(2-phenylpropan-2-yl)benzene.
What is the SMILES notation for 1-pentan-3-yl-2-(2-phenylpropan-2-yl)benzene?
The canonical SMILES for 1-pentan-3-yl-2-(2-phenylpropan-2-yl)benzene is CCC(CC)c1ccccc1C(C)(C)c1ccccc1.
What is the InChIKey of 1-pentan-3-yl-2-(2-phenylpropan-2-yl)benzene?
The InChIKey is YGCNUPGGCCDXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-5-16(6-2)18-14-10-11-15-19(18)20(3,4)17-12-8-7-9-13-17/h7-16H,5-6H2,1-4H3.
What are the key properties of 1-pentan-3-yl-2-(2-phenylpropan-2-yl)benzene?
1-pentan-3-yl-2-(2-phenylpropan-2-yl)benzene has a molecular weight of 266.43 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-3-yl-2-(2-phenylpropan-2-yl)benzene is sourced from PubChem (CID 173025915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).