1-[(E)-2-cyclopropylethenyl]-2-[3-(2-methylpropoxy)phenyl]benzene

C21H24O — CID 155932805

IUPAC1-[(E)-2-cyclopropylethenyl]-2-[3-(2-methylpropoxy)phenyl]benzene
SMILESCC(C)COc1cccc(-c2ccccc2/C=C/C2CC2)c1
InChIInChI=1S/C21H24O/c1-16(2)15-22-20-8-5-7-19(14-20)21-9-4-3-6-18(21)13-12-17-10-11-17/h3-9,12-14,16-17H,10-11,15H2,1-2H3/b13-12+
InChIKeyATHRQLLMZTXZIM-OUKQBFOZSA-N
MW292.42 g/mol
LogP5.81
Rot. Bonds6

About 1-[(E)-2-cyclopropylethenyl]-2-[3-(2-methylpropoxy)phenyl]benzene

1-[(E)-2-cyclopropylethenyl]-2-[3-(2-methylpropoxy)phenyl]benzene (PubChem CID 155932805) has the molecular formula C21H24O and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[(E)-2-cyclopropylethenyl]-2-[3-(2-methylpropoxy)phenyl]benzene.

Molecular Properties

Compound Name1-[(E)-2-cyclopropylethenyl]-2-[3-(2-methylpropoxy)phenyl]benzene
PubChem CID155932805
Molecular FormulaC21H24O
Molecular Weight292.42 g/mol
Exact Mass292.18
IUPAC Name1-[(E)-2-cyclopropylethenyl]-2-[3-(2-methylpropoxy)phenyl]benzene
SMILESCC(C)COc1cccc(-c2ccccc2/C=C/C2CC2)c1
InChIInChI=1S/C21H24O/c1-16(2)15-22-20-8-5-7-19(14-20)21-9-4-3-6-18(21)13-12-17-10-11-17/h3-9,12-14,16-17H,10-11,15H2,1-2H3/b13-12+
InChIKeyATHRQLLMZTXZIM-OUKQBFOZSA-N
XLogP5.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.42
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3-[3-(2-methylpropoxy)phenyl]benzene
CID 144804713
1-ethenyl-2-(3-ethoxyphenyl)benzene
CID 151818646
diethyl-bis[4-[3-(2-methylpropoxy)phenyl]phenyl]silane
CID 177480590
5-[3-(2-methylpropoxy)phenyl]-N-(2-oxopyrrolidin-3-yl)naphthalene-1-carboxamide
CID 172667822
[3-[3-(2-methylpropoxy)phenyl]phenyl] acetate
CID 91802880
N-cyclopropyl-3-(2-methylpropoxy)aniline
CID 103439181
1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 23399142
4,6-dimethyl-3-[3-(2-methylpropoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine
CID 141188121
1-buta-1,3-diynyl-4-[3-(2-methylpropoxy)phenyl]benzene
CID 139636207
ethane;1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 142361256
[2-methyl-6-[3-(2-methylpropoxy)phenyl]-3-pyridinyl]methanamine
CID 82453076
1-bromo-2-[3-(2,2-difluoroethoxy)phenyl]benzene
CID 166449831

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclopropylethenyl]-2-[3-(2-methylpropoxy)phenyl]benzene?
The IUPAC name of 1-[(E)-2-cyclopropylethenyl]-2-[3-(2-methylpropoxy)phenyl]benzene (CID 155932805) is 1-[(E)-2-cyclopropylethenyl]-2-[3-(2-methylpropoxy)phenyl]benzene.
What is the SMILES notation for 1-[(E)-2-cyclopropylethenyl]-2-[3-(2-methylpropoxy)phenyl]benzene?
The canonical SMILES for 1-[(E)-2-cyclopropylethenyl]-2-[3-(2-methylpropoxy)phenyl]benzene is CC(C)COc1cccc(-c2ccccc2/C=C/C2CC2)c1.
What is the InChIKey of 1-[(E)-2-cyclopropylethenyl]-2-[3-(2-methylpropoxy)phenyl]benzene?
The InChIKey is ATHRQLLMZTXZIM-OUKQBFOZSA-N. The full InChI is InChI=1S/C21H24O/c1-16(2)15-22-20-8-5-7-19(14-20)21-9-4-3-6-18(21)13-12-17-10-11-17/h3-9,12-14,16-17H,10-11,15H2,1-2H3/b13-12+.
What are the key properties of 1-[(E)-2-cyclopropylethenyl]-2-[3-(2-methylpropoxy)phenyl]benzene?
1-[(E)-2-cyclopropylethenyl]-2-[3-(2-methylpropoxy)phenyl]benzene has a molecular weight of 292.42 g/mol, XLogP of 5.81, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclopropylethenyl]-2-[3-(2-methylpropoxy)phenyl]benzene is sourced from PubChem (CID 155932805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).