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

C23H22O2 — CID 6366699

IUPAC2,6-dimethyl-4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenol
SMILESCc1cc(/C=C/c2ccccc2OCc2ccccc2)cc(C)c1O
InChIInChI=1S/C23H22O2/c1-17-14-20(15-18(2)23(17)24)12-13-21-10-6-7-11-22(21)25-16-19-8-4-3-5-9-19/h3-15,24H,16H2,1-2H3/b13-12+
InChIKeyRFVYAOYWQFRMRO-OUKQBFOZSA-N
MW330.43 g/mol
LogP5.76
Rot. Bonds5

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

2,6-dimethyl-4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenol (PubChem CID 6366699) has the molecular formula C23H22O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenol
PubChem CID6366699
Molecular FormulaC23H22O2
Molecular Weight330.43 g/mol
Exact Mass330.16
IUPAC Name2,6-dimethyl-4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenol
SMILESCc1cc(/C=C/c2ccccc2OCc2ccccc2)cc(C)c1O
InChIInChI=1S/C23H22O2/c1-17-14-20(15-18(2)23(17)24)12-13-21-10-6-7-11-22(21)25-16-19-8-4-3-5-9-19/h3-15,24H,16H2,1-2H3/b13-12+
InChIKeyRFVYAOYWQFRMRO-OUKQBFOZSA-N
XLogP5.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-phenylmethoxyphenyl)ethenyl]phenol?
The IUPAC name of 2,6-dimethyl-4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenol (CID 6366699) is 2,6-dimethyl-4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenol is Cc1cc(/C=C/c2ccccc2OCc2ccccc2)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenol?
The InChIKey is RFVYAOYWQFRMRO-OUKQBFOZSA-N. The full InChI is InChI=1S/C23H22O2/c1-17-14-20(15-18(2)23(17)24)12-13-21-10-6-7-11-22(21)25-16-19-8-4-3-5-9-19/h3-15,24H,16H2,1-2H3/b13-12+.
What are the key properties of 2,6-dimethyl-4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenol?
2,6-dimethyl-4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenol has a molecular weight of 330.43 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenol is sourced from PubChem (CID 6366699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).