4-[(E)-3-ethoxyprop-1-enyl]-2,6-dimethoxyphenol

C13H18O4 — CID 13436193

IUPAC4-[(E)-3-ethoxyprop-1-enyl]-2,6-dimethoxyphenol
SMILESCCOC/C=C/c1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C13H18O4/c1-4-17-7-5-6-10-8-11(15-2)13(14)12(9-10)16-3/h5-6,8-9,14H,4,7H2,1-3H3/b6-5+
InChIKeyPDGKZRKYANDFKV-AATRIKPKSA-N
MW238.28 g/mol
LogP2.46
Rot. Bonds6

About 4-[(E)-3-ethoxyprop-1-enyl]-2,6-dimethoxyphenol

4-[(E)-3-ethoxyprop-1-enyl]-2,6-dimethoxyphenol (PubChem CID 13436193) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 4-[(E)-3-ethoxyprop-1-enyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[(E)-3-ethoxyprop-1-enyl]-2,6-dimethoxyphenol
PubChem CID13436193
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name4-[(E)-3-ethoxyprop-1-enyl]-2,6-dimethoxyphenol
SMILESCCOC/C=C/c1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C13H18O4/c1-4-17-7-5-6-10-8-11(15-2)13(14)12(9-10)16-3/h5-6,8-9,14H,4,7H2,1-3H3/b6-5+
InChIKeyPDGKZRKYANDFKV-AATRIKPKSA-N
XLogP2.46
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.46
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

2,6-dimethoxy-4-(3-phenylmethoxyprop-1-enyl)phenol
CID 73182651
4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 71361751
2-ethoxy-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol
CID 101382375
3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl 2-methylprop-2-enoate
CID 139950809
[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl] docosanoate
CID 171476606
[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl] dodecanoate
CID 141148085
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-ene-1,1-diol
CID 155216963
3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-ene-1,1-diol
CID 57041223
2-amino-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol
CID 25033053
3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl benzoate
CID 54240947
3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl 3-(4-hydroxyphenyl)prop-2-enoate
CID 85318213
4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-methylphenol
CID 117283631

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-ethoxyprop-1-enyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[(E)-3-ethoxyprop-1-enyl]-2,6-dimethoxyphenol (CID 13436193) is 4-[(E)-3-ethoxyprop-1-enyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[(E)-3-ethoxyprop-1-enyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[(E)-3-ethoxyprop-1-enyl]-2,6-dimethoxyphenol is CCOC/C=C/c1cc(OC)c(O)c(OC)c1.
What is the InChIKey of 4-[(E)-3-ethoxyprop-1-enyl]-2,6-dimethoxyphenol?
The InChIKey is PDGKZRKYANDFKV-AATRIKPKSA-N. The full InChI is InChI=1S/C13H18O4/c1-4-17-7-5-6-10-8-11(15-2)13(14)12(9-10)16-3/h5-6,8-9,14H,4,7H2,1-3H3/b6-5+.
What are the key properties of 4-[(E)-3-ethoxyprop-1-enyl]-2,6-dimethoxyphenol?
4-[(E)-3-ethoxyprop-1-enyl]-2,6-dimethoxyphenol has a molecular weight of 238.28 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-ethoxyprop-1-enyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 13436193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).