1-(6-methylcyclohexa-2,4-dien-1-yl)-2-(2-phenylethyl)benzene

C21H22 — CID 123947128

IUPAC1-(6-methylcyclohexa-2,4-dien-1-yl)-2-(2-phenylethyl)benzene
SMILESCC1C=CC=CC1c1ccccc1CCc1ccccc1
InChIInChI=1S/C21H22/c1-17-9-5-7-13-20(17)21-14-8-6-12-19(21)16-15-18-10-3-2-4-11-18/h2-14,17,20H,15-16H2,1H3
InChIKeyBQBIWIQYKUZQPR-UHFFFAOYSA-N
MW274.41 g/mol
LogP5.32
Rot. Bonds4

About 1-(6-methylcyclohexa-2,4-dien-1-yl)-2-(2-phenylethyl)benzene

1-(6-methylcyclohexa-2,4-dien-1-yl)-2-(2-phenylethyl)benzene (PubChem CID 123947128) has the molecular formula C21H22 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(6-methylcyclohexa-2,4-dien-1-yl)-2-(2-phenylethyl)benzene.

Molecular Properties

Compound Name1-(6-methylcyclohexa-2,4-dien-1-yl)-2-(2-phenylethyl)benzene
PubChem CID123947128
Molecular FormulaC21H22
Molecular Weight274.41 g/mol
Exact Mass274.17
IUPAC Name1-(6-methylcyclohexa-2,4-dien-1-yl)-2-(2-phenylethyl)benzene
SMILESCC1C=CC=CC1c1ccccc1CCc1ccccc1
InChIInChI=1S/C21H22/c1-17-9-5-7-13-20(17)21-14-8-6-12-19(21)16-15-18-10-3-2-4-11-18/h2-14,17,20H,15-16H2,1H3
InChIKeyBQBIWIQYKUZQPR-UHFFFAOYSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.41
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

benzene;2-phenylethylbenzene
CID 18982764
N,N-dimethyl-1-[2-(2-phenylethyl)phenyl]methanamine;hydrochloride
CID 23723131
ethane;methane;2-phenylethylbenzene
CID 158652330
hafnium;2-phenylethylbenzene
CID 173109801
1-chloro-2-(2-phenylethyl)benzene
CID 21495838
2-(2-phenylethyl)phenol;hydrate
CID 157150935
1,4-dimethoxy-2,5-bis(2-phenylethyl)benzene
CID 102449129
alumane;2-phenylethylbenzene;hydrobromide
CID 173446278
5-methyl-3-(2-phenylethyl)-4H-thieno[3,2-b]pyrrole
CID 70796407
2,4-dimethyl-1-(6-methylcyclohexa-2,4-dien-1-yl)benzene
CID 145430584
1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene;2-phenylethylbenzene
CID 173107098
2-(2-methylcyclopropyl)ethylbenzene
CID 15532829

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylcyclohexa-2,4-dien-1-yl)-2-(2-phenylethyl)benzene?
The IUPAC name of 1-(6-methylcyclohexa-2,4-dien-1-yl)-2-(2-phenylethyl)benzene (CID 123947128) is 1-(6-methylcyclohexa-2,4-dien-1-yl)-2-(2-phenylethyl)benzene.
What is the SMILES notation for 1-(6-methylcyclohexa-2,4-dien-1-yl)-2-(2-phenylethyl)benzene?
The canonical SMILES for 1-(6-methylcyclohexa-2,4-dien-1-yl)-2-(2-phenylethyl)benzene is CC1C=CC=CC1c1ccccc1CCc1ccccc1.
What is the InChIKey of 1-(6-methylcyclohexa-2,4-dien-1-yl)-2-(2-phenylethyl)benzene?
The InChIKey is BQBIWIQYKUZQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22/c1-17-9-5-7-13-20(17)21-14-8-6-12-19(21)16-15-18-10-3-2-4-11-18/h2-14,17,20H,15-16H2,1H3.
What are the key properties of 1-(6-methylcyclohexa-2,4-dien-1-yl)-2-(2-phenylethyl)benzene?
1-(6-methylcyclohexa-2,4-dien-1-yl)-2-(2-phenylethyl)benzene has a molecular weight of 274.41 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylcyclohexa-2,4-dien-1-yl)-2-(2-phenylethyl)benzene is sourced from PubChem (CID 123947128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).