3-(3-methylcyclohexa-2,4-dien-1-yl)bicyclo[4.2.0]octa-1(6),2,4-triene

C15H16 — CID 143872250

IUPAC3-(3-methylcyclohexa-2,4-dien-1-yl)bicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCC1=CC(c2ccc3c(c2)CC3)CC=C1
InChIInChI=1S/C15H16/c1-11-3-2-4-13(9-11)15-8-6-12-5-7-14(12)10-15/h2-3,6,8-10,13H,4-5,7H2,1H3
InChIKeyIXOMFZCKBBVBBC-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.78
Rot. Bonds1

About 3-(3-methylcyclohexa-2,4-dien-1-yl)bicyclo[4.2.0]octa-1(6),2,4-triene

3-(3-methylcyclohexa-2,4-dien-1-yl)bicyclo[4.2.0]octa-1(6),2,4-triene (PubChem CID 143872250) has the molecular formula C15H16 and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-(3-methylcyclohexa-2,4-dien-1-yl)bicyclo[4.2.0]octa-1(6),2,4-triene.

Molecular Properties

Compound Name3-(3-methylcyclohexa-2,4-dien-1-yl)bicyclo[4.2.0]octa-1(6),2,4-triene
PubChem CID143872250
Molecular FormulaC15H16
Molecular Weight196.29 g/mol
Exact Mass196.13
IUPAC Name3-(3-methylcyclohexa-2,4-dien-1-yl)bicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCC1=CC(c2ccc3c(c2)CC3)CC=C1
InChIInChI=1S/C15H16/c1-11-3-2-4-13(9-11)15-8-6-12-5-7-14(12)10-15/h2-3,6,8-10,13H,4-5,7H2,1H3
InChIKeyIXOMFZCKBBVBBC-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-(3-methylcyclohexa-2,4-dien-1-yl)bicyclo[4.2.0]octa-1(6),2,4-triene with MolForge

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Related Compounds

6-(3-methylcyclohexa-2,4-dien-1-yl)-3,4-dihydroquinoline
CID 90774694
2-ethoxy-3,3-dimethyl-6-(3-methylcyclohexa-2,4-dien-1-yl)-1,2λ5-benzoxaphosphole 2-oxide
CID 126491615
2-methyl-4-[3-[3-methyl-4-(2-methylphenyl)phenyl]cyclohexa-1,5-dien-1-yl]-1-(2-methylphenyl)benzene
CID 144640514
4-(3-methylcyclohexa-2,4-dien-1-yl)dibenzofuran
CID 142397321
N-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobutan-1-amine
CID 156864691
8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 91231570
N,N,3-trimethylcyclohexa-2,4-dien-1-amine
CID 118506281
(3-phenylcyclohexa-1,5-dien-1-yl)benzene
CID 23170334
3-(2,3-dihydro-1H-inden-5-yl)cycloheptan-1-ol
CID 114194593
6-methoxy-2-methylcyclohexa-1,3-diene;hydrochloride
CID 144964238
2-methyl-6-(trifluoromethyl)cyclohexa-1,3-diene
CID 89192313
1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carbonitrile
CID 116841957

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylcyclohexa-2,4-dien-1-yl)bicyclo[4.2.0]octa-1(6),2,4-triene?
The IUPAC name of 3-(3-methylcyclohexa-2,4-dien-1-yl)bicyclo[4.2.0]octa-1(6),2,4-triene (CID 143872250) is 3-(3-methylcyclohexa-2,4-dien-1-yl)bicyclo[4.2.0]octa-1(6),2,4-triene.
What is the SMILES notation for 3-(3-methylcyclohexa-2,4-dien-1-yl)bicyclo[4.2.0]octa-1(6),2,4-triene?
The canonical SMILES for 3-(3-methylcyclohexa-2,4-dien-1-yl)bicyclo[4.2.0]octa-1(6),2,4-triene is CC1=CC(c2ccc3c(c2)CC3)CC=C1.
What is the InChIKey of 3-(3-methylcyclohexa-2,4-dien-1-yl)bicyclo[4.2.0]octa-1(6),2,4-triene?
The InChIKey is IXOMFZCKBBVBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16/c1-11-3-2-4-13(9-11)15-8-6-12-5-7-14(12)10-15/h2-3,6,8-10,13H,4-5,7H2,1H3.
What are the key properties of 3-(3-methylcyclohexa-2,4-dien-1-yl)bicyclo[4.2.0]octa-1(6),2,4-triene?
3-(3-methylcyclohexa-2,4-dien-1-yl)bicyclo[4.2.0]octa-1(6),2,4-triene has a molecular weight of 196.29 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylcyclohexa-2,4-dien-1-yl)bicyclo[4.2.0]octa-1(6),2,4-triene is sourced from PubChem (CID 143872250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).