ethoxybenzene;2-methoxy-4-prop-2-enylphenol

C18H22O3 — CID 69392132

IUPACethoxybenzene;2-methoxy-4-prop-2-enylphenol
SMILESC=CCc1ccc(O)c(OC)c1.CCOc1ccccc1
InChIInChI=1S/C10H12O2.C8H10O/c1-3-4-8-5-6-9(11)10(7-8)12-2;1-2-9-8-6-4-3-5-7-8/h3,5-7,11H,1,4H2,2H3;3-7H,2H2,1H3
InChIKeyFFQCZJWGNXFGLE-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.21
Rot. Bonds5

About ethoxybenzene;2-methoxy-4-prop-2-enylphenol

ethoxybenzene;2-methoxy-4-prop-2-enylphenol (PubChem CID 69392132) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is ethoxybenzene;2-methoxy-4-prop-2-enylphenol.

Molecular Properties

Compound Nameethoxybenzene;2-methoxy-4-prop-2-enylphenol
PubChem CID69392132
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Nameethoxybenzene;2-methoxy-4-prop-2-enylphenol
SMILESC=CCc1ccc(O)c(OC)c1.CCOc1ccccc1
InChIInChI=1S/C10H12O2.C8H10O/c1-3-4-8-5-6-9(11)10(7-8)12-2;1-2-9-8-6-4-3-5-7-8/h3,5-7,11H,1,4H2,2H3;3-7H,2H2,1H3
InChIKeyFFQCZJWGNXFGLE-UHFFFAOYSA-N
XLogP4.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4-prop-2-enylphenol;hydroiodide
CID 172782314
CID 69284850
CID 69284850
buta-1,3-diene;bis(2-methoxy-4-prop-2-enylphenol)
CID 175132786
2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol
CID 160676628
2-methoxy-4-prop-2-enylphenol;prop-1-enylbenzene
CID 78421503
2-methoxy-4-prop-2-enylphenol;propanimidamide
CID 174912037
2-methoxy-6-methyl-4-prop-2-enylphenol;2-methoxy-4-prop-2-enylphenol
CID 158780722
1-deuteriooxy-2-methoxy-4-prop-2-enylbenzene
CID 123654669
1-(2-ethoxyphenyl)-2-methoxy-4-prop-2-enylbenzene
CID 170842008
(2-methoxy-4-prop-2-enylphenyl) 2-phenoxyacetate
CID 137496757
4-ethoxy-2-methoxyphenol
CID 54107015
(2-methoxy-4-prop-2-enylphenyl) 2-ethoxybenzoate
CID 54364867

Frequently Asked Questions

What is the IUPAC name of ethoxybenzene;2-methoxy-4-prop-2-enylphenol?
The IUPAC name of ethoxybenzene;2-methoxy-4-prop-2-enylphenol (CID 69392132) is ethoxybenzene;2-methoxy-4-prop-2-enylphenol.
What is the SMILES notation for ethoxybenzene;2-methoxy-4-prop-2-enylphenol?
The canonical SMILES for ethoxybenzene;2-methoxy-4-prop-2-enylphenol is C=CCc1ccc(O)c(OC)c1.CCOc1ccccc1.
What is the InChIKey of ethoxybenzene;2-methoxy-4-prop-2-enylphenol?
The InChIKey is FFQCZJWGNXFGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C8H10O/c1-3-4-8-5-6-9(11)10(7-8)12-2;1-2-9-8-6-4-3-5-7-8/h3,5-7,11H,1,4H2,2H3;3-7H,2H2,1H3.
What are the key properties of ethoxybenzene;2-methoxy-4-prop-2-enylphenol?
ethoxybenzene;2-methoxy-4-prop-2-enylphenol has a molecular weight of 286.37 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxybenzene;2-methoxy-4-prop-2-enylphenol is sourced from PubChem (CID 69392132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).