3-methoxy-4-[(E)-3-phenylprop-2-enyl]phenol

C16H16O2 — CID 6450240

IUPAC3-methoxy-4-[(E)-3-phenylprop-2-enyl]phenol
SMILESCOc1cc(O)ccc1C/C=C/c1ccccc1
InChIInChI=1S/C16H16O2/c1-18-16-12-15(17)11-10-14(16)9-5-8-13-6-3-2-4-7-13/h2-8,10-12,17H,9H2,1H3/b8-5+
InChIKeyZAGLUIIUOWEVEN-VMPITWQZSA-N
MW240.30 g/mol
LogP3.66
Rot. Bonds4

About 3-methoxy-4-[(E)-3-phenylprop-2-enyl]phenol

3-methoxy-4-[(E)-3-phenylprop-2-enyl]phenol (PubChem CID 6450240) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-methoxy-4-[(E)-3-phenylprop-2-enyl]phenol.

Molecular Properties

Compound Name3-methoxy-4-[(E)-3-phenylprop-2-enyl]phenol
PubChem CID6450240
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name3-methoxy-4-[(E)-3-phenylprop-2-enyl]phenol
SMILESCOc1cc(O)ccc1C/C=C/c1ccccc1
InChIInChI=1S/C16H16O2/c1-18-16-12-15(17)11-10-14(16)9-5-8-13-6-3-2-4-7-13/h2-8,10-12,17H,9H2,1H3/b8-5+
InChIKeyZAGLUIIUOWEVEN-VMPITWQZSA-N
XLogP3.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methoxy-4-[(E)-3-phenylprop-2-enyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(E)-3-phenylprop-2-enyl]phenol?
The IUPAC name of 3-methoxy-4-[(E)-3-phenylprop-2-enyl]phenol (CID 6450240) is 3-methoxy-4-[(E)-3-phenylprop-2-enyl]phenol.
What is the SMILES notation for 3-methoxy-4-[(E)-3-phenylprop-2-enyl]phenol?
The canonical SMILES for 3-methoxy-4-[(E)-3-phenylprop-2-enyl]phenol is COc1cc(O)ccc1C/C=C/c1ccccc1.
What is the InChIKey of 3-methoxy-4-[(E)-3-phenylprop-2-enyl]phenol?
The InChIKey is ZAGLUIIUOWEVEN-VMPITWQZSA-N. The full InChI is InChI=1S/C16H16O2/c1-18-16-12-15(17)11-10-14(16)9-5-8-13-6-3-2-4-7-13/h2-8,10-12,17H,9H2,1H3/b8-5+.
What are the key properties of 3-methoxy-4-[(E)-3-phenylprop-2-enyl]phenol?
3-methoxy-4-[(E)-3-phenylprop-2-enyl]phenol has a molecular weight of 240.30 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(E)-3-phenylprop-2-enyl]phenol is sourced from PubChem (CID 6450240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).