2-phenyl-1,3,5-tripropylbenzene

C21H28 — CID 91174687

IUPAC2-phenyl-1,3,5-tripropylbenzene
SMILESCCCc1cc(CCC)c(-c2ccccc2)c(CCC)c1
InChIInChI=1S/C21H28/c1-4-10-17-15-19(11-5-2)21(20(16-17)12-6-3)18-13-8-7-9-14-18/h7-9,13-16H,4-6,10-12H2,1-3H3
InChIKeyJMAODPVMSJTGTB-UHFFFAOYSA-N
MW280.45 g/mol
LogP6.21
Rot. Bonds7

About 2-phenyl-1,3,5-tripropylbenzene

2-phenyl-1,3,5-tripropylbenzene (PubChem CID 91174687) has the molecular formula C21H28 and a molecular weight of 280.45 g/mol. Its IUPAC name is 2-phenyl-1,3,5-tripropylbenzene.

Molecular Properties

Compound Name2-phenyl-1,3,5-tripropylbenzene
PubChem CID91174687
Molecular FormulaC21H28
Molecular Weight280.45 g/mol
Exact Mass280.22
IUPAC Name2-phenyl-1,3,5-tripropylbenzene
SMILESCCCc1cc(CCC)c(-c2ccccc2)c(CCC)c1
InChIInChI=1S/C21H28/c1-4-10-17-15-19(11-5-2)21(20(16-17)12-6-3)18-13-8-7-9-14-18/h7-9,13-16H,4-6,10-12H2,1-3H3
InChIKeyJMAODPVMSJTGTB-UHFFFAOYSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,3,5-tripropylbenzene?
The IUPAC name of 2-phenyl-1,3,5-tripropylbenzene (CID 91174687) is 2-phenyl-1,3,5-tripropylbenzene.
What is the SMILES notation for 2-phenyl-1,3,5-tripropylbenzene?
The canonical SMILES for 2-phenyl-1,3,5-tripropylbenzene is CCCc1cc(CCC)c(-c2ccccc2)c(CCC)c1.
What is the InChIKey of 2-phenyl-1,3,5-tripropylbenzene?
The InChIKey is JMAODPVMSJTGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28/c1-4-10-17-15-19(11-5-2)21(20(16-17)12-6-3)18-13-8-7-9-14-18/h7-9,13-16H,4-6,10-12H2,1-3H3.
What are the key properties of 2-phenyl-1,3,5-tripropylbenzene?
2-phenyl-1,3,5-tripropylbenzene has a molecular weight of 280.45 g/mol, XLogP of 6.21, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,3,5-tripropylbenzene is sourced from PubChem (CID 91174687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).