2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol

C16H16O — CID 6365297

IUPAC2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol
SMILESCc1cc(/C=C/c2ccccc2)cc(C)c1O
InChIInChI=1S/C16H16O/c1-12-10-15(11-13(2)16(12)17)9-8-14-6-4-3-5-7-14/h3-11,17H,1-2H3/b9-8+
InChIKeyPAHKYLUYTGBFNW-CMDGGOBGSA-N
MW224.30 g/mol
LogP4.18
Rot. Bonds2

About 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol

2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol (PubChem CID 6365297) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol
PubChem CID6365297
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol
SMILESCc1cc(/C=C/c2ccccc2)cc(C)c1O
InChIInChI=1S/C16H16O/c1-12-10-15(11-13(2)16(12)17)9-8-14-6-4-3-5-7-14/h3-11,17H,1-2H3/b9-8+
InChIKeyPAHKYLUYTGBFNW-CMDGGOBGSA-N
XLogP4.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol?
The IUPAC name of 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol (CID 6365297) is 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol is Cc1cc(/C=C/c2ccccc2)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol?
The InChIKey is PAHKYLUYTGBFNW-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H16O/c1-12-10-15(11-13(2)16(12)17)9-8-14-6-4-3-5-7-14/h3-11,17H,1-2H3/b9-8+.
What are the key properties of 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol?
2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol has a molecular weight of 224.30 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol is sourced from PubChem (CID 6365297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).