1-benzyl-2-propan-2-ylbenzene

C16H18 — CID 13215617

IUPAC1-benzyl-2-propan-2-ylbenzene
SMILESCC(C)c1ccccc1Cc1ccccc1
InChIInChI=1S/C16H18/c1-13(2)16-11-7-6-10-15(16)12-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3
InChIKeySDRUDDLXOBDDFO-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.40
Rot. Bonds3

About 1-benzyl-2-propan-2-ylbenzene

1-benzyl-2-propan-2-ylbenzene (PubChem CID 13215617) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-benzyl-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-benzyl-2-propan-2-ylbenzene
PubChem CID13215617
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name1-benzyl-2-propan-2-ylbenzene
SMILESCC(C)c1ccccc1Cc1ccccc1
InChIInChI=1S/C16H18/c1-13(2)16-11-7-6-10-15(16)12-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3
InChIKeySDRUDDLXOBDDFO-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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ethane;N-methyl-1-(2-propan-2-ylphenyl)methanamine
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1-benzylsulfanyl-2-propan-2-ylbenzene
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-propan-2-ylbenzene?
The IUPAC name of 1-benzyl-2-propan-2-ylbenzene (CID 13215617) is 1-benzyl-2-propan-2-ylbenzene.
What is the SMILES notation for 1-benzyl-2-propan-2-ylbenzene?
The canonical SMILES for 1-benzyl-2-propan-2-ylbenzene is CC(C)c1ccccc1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-propan-2-ylbenzene?
The InChIKey is SDRUDDLXOBDDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-13(2)16-11-7-6-10-15(16)12-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3.
What are the key properties of 1-benzyl-2-propan-2-ylbenzene?
1-benzyl-2-propan-2-ylbenzene has a molecular weight of 210.32 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-propan-2-ylbenzene is sourced from PubChem (CID 13215617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).