1-methyl-3-(3-phenylphenyl)benzene;prop-1-ene

C22H22 — CID 142561273

IUPAC1-methyl-3-(3-phenylphenyl)benzene;prop-1-ene
SMILESC=CC.Cc1cccc(-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C19H16.C3H6/c1-15-7-5-10-17(13-15)19-12-6-11-18(14-19)16-8-3-2-4-9-16;1-3-2/h2-14H,1H3;3H,1H2,2H3
InChIKeyJJHYDLKJTTVHHM-UHFFFAOYSA-N
MW286.42 g/mol
LogP6.52
Rot. Bonds2

About 1-methyl-3-(3-phenylphenyl)benzene;prop-1-ene

1-methyl-3-(3-phenylphenyl)benzene;prop-1-ene (PubChem CID 142561273) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-methyl-3-(3-phenylphenyl)benzene;prop-1-ene.

Molecular Properties

Compound Name1-methyl-3-(3-phenylphenyl)benzene;prop-1-ene
PubChem CID142561273
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name1-methyl-3-(3-phenylphenyl)benzene;prop-1-ene
SMILESC=CC.Cc1cccc(-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C19H16.C3H6/c1-15-7-5-10-17(13-15)19-12-6-11-18(14-19)16-8-3-2-4-9-16;1-3-2/h2-14H,1H3;3H,1H2,2H3
InChIKeyJJHYDLKJTTVHHM-UHFFFAOYSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-phenylphenyl)benzene;prop-1-ene?
The IUPAC name of 1-methyl-3-(3-phenylphenyl)benzene;prop-1-ene (CID 142561273) is 1-methyl-3-(3-phenylphenyl)benzene;prop-1-ene.
What is the SMILES notation for 1-methyl-3-(3-phenylphenyl)benzene;prop-1-ene?
The canonical SMILES for 1-methyl-3-(3-phenylphenyl)benzene;prop-1-ene is C=CC.Cc1cccc(-c2cccc(-c3ccccc3)c2)c1.
What is the InChIKey of 1-methyl-3-(3-phenylphenyl)benzene;prop-1-ene?
The InChIKey is JJHYDLKJTTVHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16.C3H6/c1-15-7-5-10-17(13-15)19-12-6-11-18(14-19)16-8-3-2-4-9-16;1-3-2/h2-14H,1H3;3H,1H2,2H3.
What are the key properties of 1-methyl-3-(3-phenylphenyl)benzene;prop-1-ene?
1-methyl-3-(3-phenylphenyl)benzene;prop-1-ene has a molecular weight of 286.42 g/mol, XLogP of 6.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-phenylphenyl)benzene;prop-1-ene is sourced from PubChem (CID 142561273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).