1-(4-methylcyclohexa-1,5-dien-1-yl)ethylbenzene

C15H18 — CID 154542947

IUPAC1-(4-methylcyclohexa-1,5-dien-1-yl)ethylbenzene
SMILESCC1C=CC(C(C)c2ccccc2)=CC1
InChIInChI=1S/C15H18/c1-12-8-10-15(11-9-12)13(2)14-6-4-3-5-7-14/h3-8,10-13H,9H2,1-2H3
InChIKeyVHZSFNOBAGNYTJ-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.31
Rot. Bonds2

About 1-(4-methylcyclohexa-1,5-dien-1-yl)ethylbenzene

1-(4-methylcyclohexa-1,5-dien-1-yl)ethylbenzene (PubChem CID 154542947) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(4-methylcyclohexa-1,5-dien-1-yl)ethylbenzene.

Molecular Properties

Compound Name1-(4-methylcyclohexa-1,5-dien-1-yl)ethylbenzene
PubChem CID154542947
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name1-(4-methylcyclohexa-1,5-dien-1-yl)ethylbenzene
SMILESCC1C=CC(C(C)c2ccccc2)=CC1
InChIInChI=1S/C15H18/c1-12-8-10-15(11-9-12)13(2)14-6-4-3-5-7-14/h3-8,10-13H,9H2,1-2H3
InChIKeyVHZSFNOBAGNYTJ-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-3-(4-methylcyclohexa-1,5-dien-1-yl)butan-2-amine
CID 134316623
1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918
3-(1-phenylethyl)cyclohepta-1,3,5-triene
CID 123815989
N-(4-methylcyclohexa-1,5-dien-1-yl)aniline
CID 129261105
[(3E)-1-cyclohexa-1,5-dien-1-yl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene
CID 144537021
1-phenylethylbenzene;stibane
CID 174965918
ethane;1-phenylethylbenzene
CID 164998811
cumene;ethane;1-phenylethylbenzene
CID 158118082
ethane;methane;1-phenylethylbenzene
CID 143105414
1-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)benzene
CID 142604826
benzene;cumene
CID 157215889

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexa-1,5-dien-1-yl)ethylbenzene?
The IUPAC name of 1-(4-methylcyclohexa-1,5-dien-1-yl)ethylbenzene (CID 154542947) is 1-(4-methylcyclohexa-1,5-dien-1-yl)ethylbenzene.
What is the SMILES notation for 1-(4-methylcyclohexa-1,5-dien-1-yl)ethylbenzene?
The canonical SMILES for 1-(4-methylcyclohexa-1,5-dien-1-yl)ethylbenzene is CC1C=CC(C(C)c2ccccc2)=CC1.
What is the InChIKey of 1-(4-methylcyclohexa-1,5-dien-1-yl)ethylbenzene?
The InChIKey is VHZSFNOBAGNYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-12-8-10-15(11-9-12)13(2)14-6-4-3-5-7-14/h3-8,10-13H,9H2,1-2H3.
What are the key properties of 1-(4-methylcyclohexa-1,5-dien-1-yl)ethylbenzene?
1-(4-methylcyclohexa-1,5-dien-1-yl)ethylbenzene has a molecular weight of 198.31 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexa-1,5-dien-1-yl)ethylbenzene is sourced from PubChem (CID 154542947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).