1,3-dimethyl-5-[(E)-2-phenylethenyl]benzene

C16H16 — CID 15184079

IUPAC1,3-dimethyl-5-[(E)-2-phenylethenyl]benzene
SMILESCc1cc(C)cc(/C=C/c2ccccc2)c1
InChIInChI=1S/C16H16/c1-13-10-14(2)12-16(11-13)9-8-15-6-4-3-5-7-15/h3-12H,1-2H3/b9-8+
InChIKeyQYMXXJHRSKCEHY-CMDGGOBGSA-N
MW208.30 g/mol
LogP4.47
Rot. Bonds2

About 1,3-dimethyl-5-[(E)-2-phenylethenyl]benzene

1,3-dimethyl-5-[(E)-2-phenylethenyl]benzene (PubChem CID 15184079) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(E)-2-phenylethenyl]benzene.

Molecular Properties

Compound Name1,3-dimethyl-5-[(E)-2-phenylethenyl]benzene
PubChem CID15184079
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Name1,3-dimethyl-5-[(E)-2-phenylethenyl]benzene
SMILESCc1cc(C)cc(/C=C/c2ccccc2)c1
InChIInChI=1S/C16H16/c1-13-10-14(2)12-16(11-13)9-8-15-6-4-3-5-7-15/h3-12H,1-2H3/b9-8+
InChIKeyQYMXXJHRSKCEHY-CMDGGOBGSA-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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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(E)-2-phenylethenyl]benzene?
The IUPAC name of 1,3-dimethyl-5-[(E)-2-phenylethenyl]benzene (CID 15184079) is 1,3-dimethyl-5-[(E)-2-phenylethenyl]benzene.
What is the SMILES notation for 1,3-dimethyl-5-[(E)-2-phenylethenyl]benzene?
The canonical SMILES for 1,3-dimethyl-5-[(E)-2-phenylethenyl]benzene is Cc1cc(C)cc(/C=C/c2ccccc2)c1.
What is the InChIKey of 1,3-dimethyl-5-[(E)-2-phenylethenyl]benzene?
The InChIKey is QYMXXJHRSKCEHY-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H16/c1-13-10-14(2)12-16(11-13)9-8-15-6-4-3-5-7-15/h3-12H,1-2H3/b9-8+.
What are the key properties of 1,3-dimethyl-5-[(E)-2-phenylethenyl]benzene?
1,3-dimethyl-5-[(E)-2-phenylethenyl]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 1,3-dimethyl-5-[(E)-2-phenylethenyl]benzene is sourced from PubChem (CID 15184079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).