methane;1-(2-methylphenyl)cyclohepta-1,3,5-triene

C15H18 — CID 145003907

IUPACmethane;1-(2-methylphenyl)cyclohepta-1,3,5-triene
SMILESC.Cc1ccccc1C1=CC=CC=CC1
InChIInChI=1S/C14H14.CH4/c1-12-8-6-7-11-14(12)13-9-4-2-3-5-10-13;/h2-9,11H,10H2,1H3;1H4
InChIKeyAFQPDIVRZKFIHP-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.53
Rot. Bonds1

About methane;1-(2-methylphenyl)cyclohepta-1,3,5-triene

methane;1-(2-methylphenyl)cyclohepta-1,3,5-triene (PubChem CID 145003907) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is methane;1-(2-methylphenyl)cyclohepta-1,3,5-triene.

Molecular Properties

Compound Namemethane;1-(2-methylphenyl)cyclohepta-1,3,5-triene
PubChem CID145003907
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Namemethane;1-(2-methylphenyl)cyclohepta-1,3,5-triene
SMILESC.Cc1ccccc1C1=CC=CC=CC1
InChIInChI=1S/C14H14.CH4/c1-12-8-6-7-11-14(12)13-9-4-2-3-5-10-13;/h2-9,11H,10H2,1H3;1H4
InChIKeyAFQPDIVRZKFIHP-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-cyclopenta-1,3-dien-1-yl-2-(2-methylbutan-2-yl)benzene;ethane;propane;1,2,3-trimethylbenzene
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CID 21072158
CID 21072158
cyclohexa-1,3-diene;1,2-xylene
CID 159360183
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Frequently Asked Questions

What is the IUPAC name of methane;1-(2-methylphenyl)cyclohepta-1,3,5-triene?
The IUPAC name of methane;1-(2-methylphenyl)cyclohepta-1,3,5-triene (CID 145003907) is methane;1-(2-methylphenyl)cyclohepta-1,3,5-triene.
What is the SMILES notation for methane;1-(2-methylphenyl)cyclohepta-1,3,5-triene?
The canonical SMILES for methane;1-(2-methylphenyl)cyclohepta-1,3,5-triene is C.Cc1ccccc1C1=CC=CC=CC1.
What is the InChIKey of methane;1-(2-methylphenyl)cyclohepta-1,3,5-triene?
The InChIKey is AFQPDIVRZKFIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.CH4/c1-12-8-6-7-11-14(12)13-9-4-2-3-5-10-13;/h2-9,11H,10H2,1H3;1H4.
What are the key properties of methane;1-(2-methylphenyl)cyclohepta-1,3,5-triene?
methane;1-(2-methylphenyl)cyclohepta-1,3,5-triene has a molecular weight of 198.31 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-(2-methylphenyl)cyclohepta-1,3,5-triene is sourced from PubChem (CID 145003907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).