(3-methylcyclopenta-1,4-dien-1-yl)benzene

C12H11- — CID 123646897

IUPAC(3-methylcyclopenta-1,4-dien-1-yl)benzene
SMILESC[c-]1ccc(-c2ccccc2)c1
InChIInChI=1S/C12H11/c1-10-7-8-12(9-10)11-5-3-2-4-6-11/h2-9H,1H3/q-1
InChIKeyYZEVSSMYWCYWOX-UHFFFAOYSA-N
MW155.22 g/mol
LogP3.38
Rot. Bonds1

About (3-methylcyclopenta-1,4-dien-1-yl)benzene

(3-methylcyclopenta-1,4-dien-1-yl)benzene (PubChem CID 123646897) has the molecular formula C12H11- and a molecular weight of 155.22 g/mol. Its IUPAC name is (3-methylcyclopenta-1,4-dien-1-yl)benzene.

Molecular Properties

Compound Name(3-methylcyclopenta-1,4-dien-1-yl)benzene
PubChem CID123646897
Molecular FormulaC12H11-
Molecular Weight155.22 g/mol
Exact Mass155.09
IUPAC Name(3-methylcyclopenta-1,4-dien-1-yl)benzene
SMILESC[c-]1ccc(-c2ccccc2)c1
InChIInChI=1S/C12H11/c1-10-7-8-12(9-10)11-5-3-2-4-6-11/h2-9H,1H3/q-1
InChIKeyYZEVSSMYWCYWOX-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

lithium (3-methylcyclopenta-1,4-dien-1-yl)benzene
CID 71443344
bis(1,1'-biphenyl);sulfane
CID 22247507
benzene;1,1'-biphenyl;ethane
CID 158550617
benzene;tris(1,1'-biphenyl)
CID 162155747
lithium (3-phenylcyclopenta-1,4-dien-1-yl)benzene
CID 71443345
benzene;1,1'-biphenyl;ethane;methane
CID 161215689
1,1'-biphenyl;ethane;hydrobromide
CID 90342014
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
benzene;bis(1,1'-biphenyl);methane
CID 158742993
1,1'-biphenyl;indigane
CID 174363765
1,1'-biphenyl;hydroiodide
CID 66586334
CID 162140615
CID 162140615

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclopenta-1,4-dien-1-yl)benzene?
The IUPAC name of (3-methylcyclopenta-1,4-dien-1-yl)benzene (CID 123646897) is (3-methylcyclopenta-1,4-dien-1-yl)benzene.
What is the SMILES notation for (3-methylcyclopenta-1,4-dien-1-yl)benzene?
The canonical SMILES for (3-methylcyclopenta-1,4-dien-1-yl)benzene is C[c-]1ccc(-c2ccccc2)c1.
What is the InChIKey of (3-methylcyclopenta-1,4-dien-1-yl)benzene?
The InChIKey is YZEVSSMYWCYWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11/c1-10-7-8-12(9-10)11-5-3-2-4-6-11/h2-9H,1H3/q-1.
What are the key properties of (3-methylcyclopenta-1,4-dien-1-yl)benzene?
(3-methylcyclopenta-1,4-dien-1-yl)benzene has a molecular weight of 155.22 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclopenta-1,4-dien-1-yl)benzene is sourced from PubChem (CID 123646897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).