3-(4-ethylphenyl)cyclohepta-1,3,5-triene

C15H16 — CID 143911712

IUPAC3-(4-ethylphenyl)cyclohepta-1,3,5-triene
SMILESCCc1ccc(C2=CC=CCC=C2)cc1
InChIInChI=1S/C15H16/c1-2-13-9-11-15(12-10-13)14-7-5-3-4-6-8-14/h3,5-12H,2,4H2,1H3
InChIKeyQOKVLMQACUGLQU-UHFFFAOYSA-N
MW196.29 g/mol
LogP4.15
Rot. Bonds2

About 3-(4-ethylphenyl)cyclohepta-1,3,5-triene

3-(4-ethylphenyl)cyclohepta-1,3,5-triene (PubChem CID 143911712) has the molecular formula C15H16 and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-(4-ethylphenyl)cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name3-(4-ethylphenyl)cyclohepta-1,3,5-triene
PubChem CID143911712
Molecular FormulaC15H16
Molecular Weight196.29 g/mol
Exact Mass196.13
IUPAC Name3-(4-ethylphenyl)cyclohepta-1,3,5-triene
SMILESCCc1ccc(C2=CC=CCC=C2)cc1
InChIInChI=1S/C15H16/c1-2-13-9-11-15(12-10-13)14-7-5-3-4-6-8-14/h3,5-12H,2,4H2,1H3
InChIKeyQOKVLMQACUGLQU-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;3-(3-phenylphenyl)cyclohepta-1,3,5-triene
CID 144739295
cyclopenta-1,3-diene;ethane;ethylbenzene
CID 90860127
ethane;3-(3-methyl-5-phenylphenyl)cyclohepta-1,3,5-triene
CID 145328002
2-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-5-ethylfuran
CID 134887264
ethane;9-(4-ethylphenyl)tetracyclo[9.5.0.02,7.07,9]hexadeca-1,3,5,10,12,15-hexaene
CID 145265212
alumane;1,4-diethylbenzene
CID 174296012
1,4-diethylbenzene;ethane
CID 91207141
ethyl 5-(4-ethylphenyl)cyclohepta-1,4,6-triene-1-carboxylate
CID 143394539
hexakis(cyclopenta-1,3-diene);ethane;1-ethenyl-4-ethylbenzene;heptane;methane;tris(octane)
CID 158135421
3-(2-methoxyphenyl)cyclohepta-1,3,5-triene
CID 144597097
sodium;4-ethylphenol;hydroxide
CID 160913882
1,4-bis[(4-ethylphenyl)methyl]benzene;ethane;1-ethyl-4-[[4-[4-[(4-ethylphenyl)methyl]phenyl]phenyl]methyl]benzene
CID 163605506

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)cyclohepta-1,3,5-triene?
The IUPAC name of 3-(4-ethylphenyl)cyclohepta-1,3,5-triene (CID 143911712) is 3-(4-ethylphenyl)cyclohepta-1,3,5-triene.
What is the SMILES notation for 3-(4-ethylphenyl)cyclohepta-1,3,5-triene?
The canonical SMILES for 3-(4-ethylphenyl)cyclohepta-1,3,5-triene is CCc1ccc(C2=CC=CCC=C2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)cyclohepta-1,3,5-triene?
The InChIKey is QOKVLMQACUGLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16/c1-2-13-9-11-15(12-10-13)14-7-5-3-4-6-8-14/h3,5-12H,2,4H2,1H3.
What are the key properties of 3-(4-ethylphenyl)cyclohepta-1,3,5-triene?
3-(4-ethylphenyl)cyclohepta-1,3,5-triene has a molecular weight of 196.29 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)cyclohepta-1,3,5-triene is sourced from PubChem (CID 143911712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).