ethane;methane;2-phenylcyclohepta-1,3,5-triene

C19H34 — CID 154646973

IUPACethane;methane;2-phenylcyclohepta-1,3,5-triene
SMILESC.C.C.C.C1=CCC=C(c2ccccc2)C=C1.CC
InChIInChI=1S/C13H12.C2H6.4CH4/c1-2-5-9-12(8-4-1)13-10-6-3-7-11-13;1-2;;;;/h1-4,6-11H,5H2;1-2H3;4*1H4
InChIKeyLCDMEBGMVFQRKO-UHFFFAOYSA-N
MW262.48 g/mol
LogP7.16
Rot. Bonds1

About ethane;methane;2-phenylcyclohepta-1,3,5-triene

ethane;methane;2-phenylcyclohepta-1,3,5-triene (PubChem CID 154646973) has the molecular formula C19H34 and a molecular weight of 262.48 g/mol. Its IUPAC name is ethane;methane;2-phenylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Nameethane;methane;2-phenylcyclohepta-1,3,5-triene
PubChem CID154646973
Molecular FormulaC19H34
Molecular Weight262.48 g/mol
Exact Mass262.27
IUPAC Nameethane;methane;2-phenylcyclohepta-1,3,5-triene
SMILESC.C.C.C.C1=CCC=C(c2ccccc2)C=C1.CC
InChIInChI=1S/C13H12.C2H6.4CH4/c1-2-5-9-12(8-4-1)13-10-6-3-7-11-13;1-2;;;;/h1-4,6-11H,5H2;1-2H3;4*1H4
InChIKeyLCDMEBGMVFQRKO-UHFFFAOYSA-N
XLogP7.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(4-cyclohepta-1,4,6-trien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 144705647
2-phenylcycloocta-1,3,5-triene
CID 123254366
9-(4-cyclohepta-1,4,6-trien-1-ylphenyl)carbazole;ethane;propane
CID 154692605
1-(4-cyclohepta-1,4,6-trien-1-ylphenyl)ethanone
CID 143363628
5-cyclohepta-1,4,6-trien-1-yl-N-(4-phenylphenyl)cyclohepta-1,4,6-trien-1-amine
CID 145327932
4-cyclohepta-1,4,6-trien-1-yl-2-methylpyridine
CID 143584360
2-cyclohepta-1,4,6-trien-1-ylaniline
CID 134382260
cyclohexa-1,5-dien-1-ylbenzene;methane
CID 156791104
1-(2-cyclohepta-1,4,6-trien-1-ylphenyl)cyclohepta-1,3,5-triene
CID 145066203
(4Z,6Z)-8H-cyclopenta[8]annulene
CID 136672977
cyclohepta-1,4,6-trien-1-yl(phenyl)methanol;ethane
CID 143019202
2-cyclohepta-1,4,6-trien-1-yl-6-methylpyridine
CID 123370354

Frequently Asked Questions

What is the IUPAC name of ethane;methane;2-phenylcyclohepta-1,3,5-triene?
The IUPAC name of ethane;methane;2-phenylcyclohepta-1,3,5-triene (CID 154646973) is ethane;methane;2-phenylcyclohepta-1,3,5-triene.
What is the SMILES notation for ethane;methane;2-phenylcyclohepta-1,3,5-triene?
The canonical SMILES for ethane;methane;2-phenylcyclohepta-1,3,5-triene is C.C.C.C.C1=CCC=C(c2ccccc2)C=C1.CC.
What is the InChIKey of ethane;methane;2-phenylcyclohepta-1,3,5-triene?
The InChIKey is LCDMEBGMVFQRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12.C2H6.4CH4/c1-2-5-9-12(8-4-1)13-10-6-3-7-11-13;1-2;;;;/h1-4,6-11H,5H2;1-2H3;4*1H4.
What are the key properties of ethane;methane;2-phenylcyclohepta-1,3,5-triene?
ethane;methane;2-phenylcyclohepta-1,3,5-triene has a molecular weight of 262.48 g/mol, XLogP of 7.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;2-phenylcyclohepta-1,3,5-triene is sourced from PubChem (CID 154646973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).