2,5-dimethoxy-4-[(E)-3-phenylprop-2-enyl]phenol

C17H18O3 — CID 5458526

IUPAC2,5-dimethoxy-4-[(E)-3-phenylprop-2-enyl]phenol
SMILESCOc1cc(C/C=C/c2ccccc2)c(OC)cc1O
InChIInChI=1S/C17H18O3/c1-19-16-12-15(18)17(20-2)11-14(16)10-6-9-13-7-4-3-5-8-13/h3-9,11-12,18H,10H2,1-2H3/b9-6+
InChIKeyMGFYJNMOZGSGMU-RMKNXTFCSA-N
MW270.33 g/mol
LogP3.67
Rot. Bonds5

About 2,5-dimethoxy-4-[(E)-3-phenylprop-2-enyl]phenol

2,5-dimethoxy-4-[(E)-3-phenylprop-2-enyl]phenol (PubChem CID 5458526) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2,5-dimethoxy-4-[(E)-3-phenylprop-2-enyl]phenol.

Molecular Properties

Compound Name2,5-dimethoxy-4-[(E)-3-phenylprop-2-enyl]phenol
PubChem CID5458526
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2,5-dimethoxy-4-[(E)-3-phenylprop-2-enyl]phenol
SMILESCOc1cc(C/C=C/c2ccccc2)c(OC)cc1O
InChIInChI=1S/C17H18O3/c1-19-16-12-15(18)17(20-2)11-14(16)10-6-9-13-7-4-3-5-8-13/h3-9,11-12,18H,10H2,1-2H3/b9-6+
InChIKeyMGFYJNMOZGSGMU-RMKNXTFCSA-N
XLogP3.67
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-4-[(E)-3-phenylprop-2-enyl]phenol?
The IUPAC name of 2,5-dimethoxy-4-[(E)-3-phenylprop-2-enyl]phenol (CID 5458526) is 2,5-dimethoxy-4-[(E)-3-phenylprop-2-enyl]phenol.
What is the SMILES notation for 2,5-dimethoxy-4-[(E)-3-phenylprop-2-enyl]phenol?
The canonical SMILES for 2,5-dimethoxy-4-[(E)-3-phenylprop-2-enyl]phenol is COc1cc(C/C=C/c2ccccc2)c(OC)cc1O.
What is the InChIKey of 2,5-dimethoxy-4-[(E)-3-phenylprop-2-enyl]phenol?
The InChIKey is MGFYJNMOZGSGMU-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H18O3/c1-19-16-12-15(18)17(20-2)11-14(16)10-6-9-13-7-4-3-5-8-13/h3-9,11-12,18H,10H2,1-2H3/b9-6+.
What are the key properties of 2,5-dimethoxy-4-[(E)-3-phenylprop-2-enyl]phenol?
2,5-dimethoxy-4-[(E)-3-phenylprop-2-enyl]phenol has a molecular weight of 270.33 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-4-[(E)-3-phenylprop-2-enyl]phenol is sourced from PubChem (CID 5458526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).