2,6-dimethoxy-4-(3-phenylmethoxyprop-1-enyl)phenol

C18H20O4 — CID 73182651

IUPAC2,6-dimethoxy-4-(3-phenylmethoxyprop-1-enyl)phenol
SMILESCOc1cc(C=CCOCc2ccccc2)cc(OC)c1O
InChIInChI=1S/C18H20O4/c1-20-16-11-15(12-17(21-2)18(16)19)9-6-10-22-13-14-7-4-3-5-8-14/h3-9,11-12,19H,10,13H2,1-2H3
InChIKeyGCMVGIXODJNJMY-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.64
Rot. Bonds7

About 2,6-dimethoxy-4-(3-phenylmethoxyprop-1-enyl)phenol

2,6-dimethoxy-4-(3-phenylmethoxyprop-1-enyl)phenol (PubChem CID 73182651) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2,6-dimethoxy-4-(3-phenylmethoxyprop-1-enyl)phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-(3-phenylmethoxyprop-1-enyl)phenol
PubChem CID73182651
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name2,6-dimethoxy-4-(3-phenylmethoxyprop-1-enyl)phenol
SMILESCOc1cc(C=CCOCc2ccccc2)cc(OC)c1O
InChIInChI=1S/C18H20O4/c1-20-16-11-15(12-17(21-2)18(16)19)9-6-10-22-13-14-7-4-3-5-8-14/h3-9,11-12,19H,10,13H2,1-2H3
InChIKeyGCMVGIXODJNJMY-UHFFFAOYSA-N
XLogP3.64
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-3-ethoxyprop-1-enyl]-2,6-dimethoxyphenol
CID 13436193
1,2,3-trimethoxy-5-[[(E)-3-phenylprop-2-enoxy]methyl]benzene
CID 175119653
3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl benzoate
CID 54240947
2-methoxy-4-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]phenol
CID 140835234
1,3,5-tris[[(E)-3-phenylprop-2-enoxy]methyl]benzene
CID 15531172
1-[4-[(E)-3-phenylmethoxyprop-1-enyl]phenyl]ethanone
CID 11230907
methyl 3-[(E)-3-phenylmethoxyprop-1-enyl]benzoate
CID 125468649
4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 71361751
1-fluoro-4-[(E)-3-phenylmethoxyprop-1-enyl]benzene
CID 11579619
1,3-dimethoxy-2-[(E)-4-phenylmethoxybut-2-enoxy]benzene
CID 100938911
3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl 3-(4-hydroxyphenyl)prop-2-enoate
CID 85318213
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-(3-phenylmethoxyprop-1-enyl)phenol?
The IUPAC name of 2,6-dimethoxy-4-(3-phenylmethoxyprop-1-enyl)phenol (CID 73182651) is 2,6-dimethoxy-4-(3-phenylmethoxyprop-1-enyl)phenol.
What is the SMILES notation for 2,6-dimethoxy-4-(3-phenylmethoxyprop-1-enyl)phenol?
The canonical SMILES for 2,6-dimethoxy-4-(3-phenylmethoxyprop-1-enyl)phenol is COc1cc(C=CCOCc2ccccc2)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-(3-phenylmethoxyprop-1-enyl)phenol?
The InChIKey is GCMVGIXODJNJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-20-16-11-15(12-17(21-2)18(16)19)9-6-10-22-13-14-7-4-3-5-8-14/h3-9,11-12,19H,10,13H2,1-2H3.
What are the key properties of 2,6-dimethoxy-4-(3-phenylmethoxyprop-1-enyl)phenol?
2,6-dimethoxy-4-(3-phenylmethoxyprop-1-enyl)phenol has a molecular weight of 300.35 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-(3-phenylmethoxyprop-1-enyl)phenol is sourced from PubChem (CID 73182651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).