1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene

C16H16 — CID 12625550

IUPAC1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
SMILESCc1cccc(/C=C/c2cccc(C)c2)c1
InChIInChI=1S/C16H16/c1-13-5-3-7-15(11-13)9-10-16-8-4-6-14(2)12-16/h3-12H,1-2H3/b10-9+
InChIKeyMBICTZRQFLJHSA-MDZDMXLPSA-N
MW208.30 g/mol
LogP4.47
Rot. Bonds2

About 1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene

1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene (PubChem CID 12625550) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
PubChem CID12625550
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Name1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
SMILESCc1cccc(/C=C/c2cccc(C)c2)c1
InChIInChI=1S/C16H16/c1-13-5-3-7-15(11-13)9-10-16-8-4-6-14(2)12-16/h3-12H,1-2H3/b10-9+
InChIKeyMBICTZRQFLJHSA-MDZDMXLPSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene
CID 158666268
3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol
CID 159541553
ethane;1-methyl-3-[(Z)-prop-1-enyl]benzene
CID 163241794
(Z)-2-(3-methylphenyl)ethenamine
CID 142266989
1-fluoro-4-[2-(3-methylphenyl)ethenyl]benzene
CID 91179639
4-[2-(3-methylphenyl)ethenyl]aniline
CID 59935146
1,4-dibromo-2,5-bis[2-(3-methylphenyl)ethenyl]benzene
CID 59951418
1-[(1Z)-buta-1,3-dienyl]-3-methylbenzene
CID 129406214
1-ethyl-4-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 102133829
N,N-dimethyl-4-[(E)-2-(3-methylphenyl)ethenyl]aniline
CID 6538430
2-[(E)-2-(3-methylphenyl)ethenyl]pyridine
CID 5463079
1-[(E)-3-bromoprop-1-enyl]-3-methylbenzene
CID 15662681

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene?
The IUPAC name of 1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene (CID 12625550) is 1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene.
What is the SMILES notation for 1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene?
The canonical SMILES for 1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene is Cc1cccc(/C=C/c2cccc(C)c2)c1.
What is the InChIKey of 1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene?
The InChIKey is MBICTZRQFLJHSA-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H16/c1-13-5-3-7-15(11-13)9-10-16-8-4-6-14(2)12-16/h3-12H,1-2H3/b10-9+.
What are the key properties of 1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene?
1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene has a molecular weight of 208.30 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene is sourced from PubChem (CID 12625550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).