3-(2-phenylpropan-2-yl)cyclohepta-1,3,5-triene

C16H18 — CID 91047474

IUPAC3-(2-phenylpropan-2-yl)cyclohepta-1,3,5-triene
SMILESCC(C)(C1=CC=CCC=C1)c1ccccc1
InChIInChI=1S/C16H18/c1-16(2,15-12-8-5-9-13-15)14-10-6-3-4-7-11-14/h3,5-13H,4H2,1-2H3
InChIKeyCJFASTGERMCNMO-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.41
Rot. Bonds2

About 3-(2-phenylpropan-2-yl)cyclohepta-1,3,5-triene

3-(2-phenylpropan-2-yl)cyclohepta-1,3,5-triene (PubChem CID 91047474) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-(2-phenylpropan-2-yl)cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name3-(2-phenylpropan-2-yl)cyclohepta-1,3,5-triene
PubChem CID91047474
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name3-(2-phenylpropan-2-yl)cyclohepta-1,3,5-triene
SMILESCC(C)(C1=CC=CCC=C1)c1ccccc1
InChIInChI=1S/C16H18/c1-16(2,15-12-8-5-9-13-15)14-10-6-3-4-7-11-14/h3,5-13H,4H2,1-2H3
InChIKeyCJFASTGERMCNMO-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(1,1-diphenylethyl)cyclohepta-1,3,5-triene;ethane;methanamine;molecular hydrogen
CID 142926551
2-phenylpropan-2-ylbenzene
CID 13065
1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-3-methylbenzene
CID 142667155
(1-cyclopenta-1,4-dien-1-yl-1-phenylpropyl)benzene
CID 87377152
cyclohepta-1,3,6-trien-1-yl-methyl-diphenylsilane
CID 144923038
cyclohepta-1,3,6-trien-1-yl-dimethyl-phenylazanium
CID 90938590
CID 171375456
CID 171375456
3-[methyl(phenyl)phosphoryl]cyclohepta-1,3,5-triene
CID 134407070
2-cyclohepta-1,4,6-trien-1-yl-2-phenylpropanoic acid
CID 142840576
ethane;3-(3-phenylphenyl)cyclohepta-1,3,5-triene
CID 144739295
1-cyclohepta-1,3,6-trien-1-yl-1-cyclohex-3-en-1-ylethanamine
CID 163749206
copper;tetrakis(4-(2-phenylpropan-2-yl)phenol)
CID 87921790

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylpropan-2-yl)cyclohepta-1,3,5-triene?
The IUPAC name of 3-(2-phenylpropan-2-yl)cyclohepta-1,3,5-triene (CID 91047474) is 3-(2-phenylpropan-2-yl)cyclohepta-1,3,5-triene.
What is the SMILES notation for 3-(2-phenylpropan-2-yl)cyclohepta-1,3,5-triene?
The canonical SMILES for 3-(2-phenylpropan-2-yl)cyclohepta-1,3,5-triene is CC(C)(C1=CC=CCC=C1)c1ccccc1.
What is the InChIKey of 3-(2-phenylpropan-2-yl)cyclohepta-1,3,5-triene?
The InChIKey is CJFASTGERMCNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-16(2,15-12-8-5-9-13-15)14-10-6-3-4-7-11-14/h3,5-13H,4H2,1-2H3.
What are the key properties of 3-(2-phenylpropan-2-yl)cyclohepta-1,3,5-triene?
3-(2-phenylpropan-2-yl)cyclohepta-1,3,5-triene has a molecular weight of 210.32 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylpropan-2-yl)cyclohepta-1,3,5-triene is sourced from PubChem (CID 91047474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).