1,1'-(1-Methyl-1,3-propanediyl)bis(benzene)

C16H18 — CID 15203

IUPAC4-phenylbutan-2-ylbenzene
SMILESCC(CCC1=CC=CC=C1)C2=CC=CC=C2
InChIInChI=1S/C16H18/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3
InChIKeyPDINXYLAVFUHSA-UHFFFAOYSA-N
MW210.31 g/mol
LogP5.00
Rot. Bonds4

About 1,1'-(1-Methyl-1,3-propanediyl)bis(benzene)

1,1'-(1-Methyl-1,3-propanediyl)bis(benzene) (PubChem CID 15203) has the molecular formula C16H18 and a molecular weight of 210.31 g/mol. Its IUPAC name is 4-phenylbutan-2-ylbenzene.

Molecular Properties

Compound Name1,1'-(1-Methyl-1,3-propanediyl)bis(benzene)
PubChem CID15203
Molecular FormulaC16H18
Molecular Weight210.31 g/mol
Exact Mass210.14
IUPAC Name4-phenylbutan-2-ylbenzene
SMILESCC(CCC1=CC=CC=C1)C2=CC=CC=C2
InChIInChI=1S/C16H18/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3
InChIKeyPDINXYLAVFUHSA-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity172

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.31
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Biphenyl
CID 7095
O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
P-Cymene
CID 7463
Cumene
CID 7406
Butylbenzene
CID 7705
Pentylbenzene
CID 10864
Propylbenzene
CID 7668
Tert-Butylbenzene
CID 7366
M-Terphenyl
CID 7076
4-tert-Butyltoluene
CID 7390

Frequently Asked Questions

What is the IUPAC name of 1,1'-(1-Methyl-1,3-propanediyl)bis(benzene)?
The IUPAC name of 1,1'-(1-Methyl-1,3-propanediyl)bis(benzene) (CID 15203) is 4-phenylbutan-2-ylbenzene.
What is the SMILES notation for 1,1'-(1-Methyl-1,3-propanediyl)bis(benzene)?
The canonical SMILES for 1,1'-(1-Methyl-1,3-propanediyl)bis(benzene) is CC(CCC1=CC=CC=C1)C2=CC=CC=C2.
What is the InChIKey of 1,1'-(1-Methyl-1,3-propanediyl)bis(benzene)?
The InChIKey is PDINXYLAVFUHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3.
What are the key properties of 1,1'-(1-Methyl-1,3-propanediyl)bis(benzene)?
1,1'-(1-Methyl-1,3-propanediyl)bis(benzene) has a molecular weight of 210.31 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-(1-Methyl-1,3-propanediyl)bis(benzene) is sourced from PubChem (CID 15203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).