ethene;1-methyl-3-phenylbenzene

C15H16 — CID 142622149

IUPACethene;1-methyl-3-phenylbenzene
SMILESC=C.Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C13H12.C2H4/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-2/h2-10H,1H3;1-2H2
InChIKeyRSBXRVGCSFNJCT-UHFFFAOYSA-N
MW196.29 g/mol
LogP4.46
Rot. Bonds1

About ethene;1-methyl-3-phenylbenzene

ethene;1-methyl-3-phenylbenzene (PubChem CID 142622149) has the molecular formula C15H16 and a molecular weight of 196.29 g/mol. Its IUPAC name is ethene;1-methyl-3-phenylbenzene.

Molecular Properties

Compound Nameethene;1-methyl-3-phenylbenzene
PubChem CID142622149
Molecular FormulaC15H16
Molecular Weight196.29 g/mol
Exact Mass196.13
IUPAC Nameethene;1-methyl-3-phenylbenzene
SMILESC=C.Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C13H12.C2H4/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-2/h2-10H,1H3;1-2H2
InChIKeyRSBXRVGCSFNJCT-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 54.46
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

1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
ethane;1-methyl-3-phenylbenzene
CID 142040878
1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
CID 123280286
ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051
ethane;1-methyl-3-(3-phenylphenyl)benzene
CID 163289488
1-(3,5-diphenylphenyl)-3-(3-methylphenyl)-5-phenylbenzene
CID 123283333
ethane;methane;1-methyl-3-phenylbenzene
CID 144644852
methanamine;1-methyl-3-phenylbenzene
CID 145414985
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
1-methyl-3-(3-phenylphenyl)benzene;prop-1-ene
CID 142561273
1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene
CID 59552812
(Z)-but-2-ene;1-methyl-3-(4-phenylphenyl)benzene;prop-1-ene
CID 145212075

Frequently Asked Questions

What is the IUPAC name of ethene;1-methyl-3-phenylbenzene?
The IUPAC name of ethene;1-methyl-3-phenylbenzene (CID 142622149) is ethene;1-methyl-3-phenylbenzene.
What is the SMILES notation for ethene;1-methyl-3-phenylbenzene?
The canonical SMILES for ethene;1-methyl-3-phenylbenzene is C=C.Cc1cccc(-c2ccccc2)c1.
What is the InChIKey of ethene;1-methyl-3-phenylbenzene?
The InChIKey is RSBXRVGCSFNJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12.C2H4/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-2/h2-10H,1H3;1-2H2.
What are the key properties of ethene;1-methyl-3-phenylbenzene?
ethene;1-methyl-3-phenylbenzene has a molecular weight of 196.29 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-methyl-3-phenylbenzene is sourced from PubChem (CID 142622149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).