1-methyl-4-prop-1-en-2-ylbenzene

C10H11+ — CID 90700010

IUPAC1-methyl-4-prop-1-en-2-ylbenzene
SMILESC=C([CH2+])c1ccc(C)cc1
InChIInChI=1S/C10H11/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1-2H2,3H3/q+1
InChIKeyNSLGTBWLOMEWQB-UHFFFAOYSA-N
MW131.20 g/mol
LogP2.84
Rot. Bonds1

About 1-methyl-4-prop-1-en-2-ylbenzene

1-methyl-4-prop-1-en-2-ylbenzene (PubChem CID 90700010) has the molecular formula C10H11+ and a molecular weight of 131.20 g/mol. Its IUPAC name is 1-methyl-4-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-methyl-4-prop-1-en-2-ylbenzene
PubChem CID90700010
Molecular FormulaC10H11+
Molecular Weight131.20 g/mol
Exact Mass131.09
IUPAC Name1-methyl-4-prop-1-en-2-ylbenzene
SMILESC=C([CH2+])c1ccc(C)cc1
InChIInChI=1S/C10H11/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1-2H2,3H3/q+1
InChIKeyNSLGTBWLOMEWQB-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis[1-(4-methylphenyl)ethenyl]benzene;ethane
CID 123373957
1-methyl-4-(4-prop-1-en-2-ylphenyl)benzene
CID 20594776
potassium 1-(4-methylphenyl)ethenolate
CID 101141531
cyclobutane;ethane;1-methyl-4-prop-1-en-2-ylbenzene
CID 177043562
1-methyl-4-[7-(4-methylphenyl)octa-1,7-dien-2-yl]benzene
CID 15247721
1-methyl-4-(4-prop-1-en-2-ylphenoxy)benzene
CID 147989654
2-(4-methylphenyl)prop-2-enoyl fluoride
CID 175147814
buta-1,3-diene;1-buta-1,3-dien-2-yl-4-methylbenzene
CID 174224739
ethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene
CID 91583110
ethane;methanol;1,4-xylene
CID 171074418
1,2-bis(4-methylphenyl)prop-2-en-1-one;molecular hydrogen
CID 144635959
N-methoxy-1-(4-methylphenyl)ethenamine
CID 56975753

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-prop-1-en-2-ylbenzene?
The IUPAC name of 1-methyl-4-prop-1-en-2-ylbenzene (CID 90700010) is 1-methyl-4-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-methyl-4-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-methyl-4-prop-1-en-2-ylbenzene is C=C([CH2+])c1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-prop-1-en-2-ylbenzene?
The InChIKey is NSLGTBWLOMEWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1-2H2,3H3/q+1.
What are the key properties of 1-methyl-4-prop-1-en-2-ylbenzene?
1-methyl-4-prop-1-en-2-ylbenzene has a molecular weight of 131.20 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-prop-1-en-2-ylbenzene is sourced from PubChem (CID 90700010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).