1-(1,5-dimethylcyclohex-2-en-1-yl)-3-phenylbenzene

C20H22 — CID 71111149

IUPAC1-(1,5-dimethylcyclohex-2-en-1-yl)-3-phenylbenzene
SMILESCC1CC=CC(C)(c2cccc(-c3ccccc3)c2)C1
InChIInChI=1S/C20H22/c1-16-8-7-13-20(2,15-16)19-12-6-11-18(14-19)17-9-4-3-5-10-17/h3-7,9-14,16H,8,15H2,1-2H3
InChIKeyCJHOYOYKNAVUQM-UHFFFAOYSA-N
MW262.40 g/mol
LogP5.60
Rot. Bonds2

About 1-(1,5-dimethylcyclohex-2-en-1-yl)-3-phenylbenzene

1-(1,5-dimethylcyclohex-2-en-1-yl)-3-phenylbenzene (PubChem CID 71111149) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(1,5-dimethylcyclohex-2-en-1-yl)-3-phenylbenzene.

Molecular Properties

Compound Name1-(1,5-dimethylcyclohex-2-en-1-yl)-3-phenylbenzene
PubChem CID71111149
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name1-(1,5-dimethylcyclohex-2-en-1-yl)-3-phenylbenzene
SMILESCC1CC=CC(C)(c2cccc(-c3ccccc3)c2)C1
InChIInChI=1S/C20H22/c1-16-8-7-13-20(2,15-16)19-12-6-11-18(14-19)17-9-4-3-5-10-17/h3-7,9-14,16H,8,15H2,1-2H3
InChIKeyCJHOYOYKNAVUQM-UHFFFAOYSA-N
XLogP5.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.40
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(1,3-diphenylbenzene);ethane
CID 144938975
1-(3-phenylphenyl)cyclobutan-1-ol
CID 174781910
1-(3-phenylphenyl)cyclopentan-1-amine
CID 117347761
4-chloro-1-methyl-6-phenyl-1,2,3,4-tetrahydronaphthalene
CID 115418008
N-[4-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-4-phenylaniline
CID 165158441
1,3-diphenylbenzene;ethane;methane
CID 171489435
bicyclo[3.1.0]hexa-1(6),2,4-triene;4-hydroxy-6-methyl-6-phenyloxan-2-one
CID 67752422
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
3,6-dimethyl-3-(3-phenylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 68658956
1-fluoro-2,3-dimethyl-2-phenylaziridine
CID 12547280

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylcyclohex-2-en-1-yl)-3-phenylbenzene?
The IUPAC name of 1-(1,5-dimethylcyclohex-2-en-1-yl)-3-phenylbenzene (CID 71111149) is 1-(1,5-dimethylcyclohex-2-en-1-yl)-3-phenylbenzene.
What is the SMILES notation for 1-(1,5-dimethylcyclohex-2-en-1-yl)-3-phenylbenzene?
The canonical SMILES for 1-(1,5-dimethylcyclohex-2-en-1-yl)-3-phenylbenzene is CC1CC=CC(C)(c2cccc(-c3ccccc3)c2)C1.
What is the InChIKey of 1-(1,5-dimethylcyclohex-2-en-1-yl)-3-phenylbenzene?
The InChIKey is CJHOYOYKNAVUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22/c1-16-8-7-13-20(2,15-16)19-12-6-11-18(14-19)17-9-4-3-5-10-17/h3-7,9-14,16H,8,15H2,1-2H3.
What are the key properties of 1-(1,5-dimethylcyclohex-2-en-1-yl)-3-phenylbenzene?
1-(1,5-dimethylcyclohex-2-en-1-yl)-3-phenylbenzene has a molecular weight of 262.40 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylcyclohex-2-en-1-yl)-3-phenylbenzene is sourced from PubChem (CID 71111149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).