methoxymethane;2-methoxy-4-prop-2-enylphenol;(4-methylphenyl) 2-methylpropanoate

C23H32O5 — CID 137380786

IUPACmethoxymethane;2-methoxy-4-prop-2-enylphenol;(4-methylphenyl) 2-methylpropanoate
SMILESC=CCc1ccc(O)c(OC)c1.COC.Cc1ccc(OC(=O)C(C)C)cc1
InChIInChI=1S/C11H14O2.C10H12O2.C2H6O/c1-8(2)11(12)13-10-6-4-9(3)5-7-10;1-3-4-8-5-6-9(11)10(7-8)12-2;1-3-2/h4-8H,1-3H3;3,5-7,11H,1,4H2,2H3;1-2H3
InChIKeyLTVCQUGQSQDDSJ-UHFFFAOYSA-N
MW388.50 g/mol
LogP4.95
Rot. Bonds5

About methoxymethane;2-methoxy-4-prop-2-enylphenol;(4-methylphenyl) 2-methylpropanoate

methoxymethane;2-methoxy-4-prop-2-enylphenol;(4-methylphenyl) 2-methylpropanoate (PubChem CID 137380786) has the molecular formula C23H32O5 and a molecular weight of 388.50 g/mol. Its IUPAC name is methoxymethane;2-methoxy-4-prop-2-enylphenol;(4-methylphenyl) 2-methylpropanoate.

Molecular Properties

Compound Namemethoxymethane;2-methoxy-4-prop-2-enylphenol;(4-methylphenyl) 2-methylpropanoate
PubChem CID137380786
Molecular FormulaC23H32O5
Molecular Weight388.50 g/mol
Exact Mass388.22
IUPAC Namemethoxymethane;2-methoxy-4-prop-2-enylphenol;(4-methylphenyl) 2-methylpropanoate
SMILESC=CCc1ccc(O)c(OC)c1.COC.Cc1ccc(OC(=O)C(C)C)cc1
InChIInChI=1S/C11H14O2.C10H12O2.C2H6O/c1-8(2)11(12)13-10-6-4-9(3)5-7-10;1-3-4-8-5-6-9(11)10(7-8)12-2;1-3-2/h4-8H,1-3H3;3,5-7,11H,1,4H2,2H3;1-2H3
InChIKeyLTVCQUGQSQDDSJ-UHFFFAOYSA-N
XLogP4.95
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', '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-6-methyl-4-prop-2-enylphenol;2-methoxy-4-prop-2-enylphenol
CID 158780722
2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol
CID 160676628
2-methoxy-4-prop-2-enylphenol;propanimidamide
CID 174912037
1-deuteriooxy-2-methoxy-4-prop-2-enylbenzene
CID 123654669
(2-methoxy-4-prop-2-enylphenyl) (2R)-2-methylbutanoate
CID 93483199
ethoxybenzene;2-methoxy-4-prop-2-enylphenol
CID 69392132
2,3-dibutyl-6-methylphenol;2-methoxy-4-prop-2-enylphenol
CID 174882244
bis(2-methoxy-4-prop-2-enylphenyl) pentanedioate
CID 139030994
2-methoxy-4-prop-2-enylphenol;prop-1-enylbenzene
CID 78421503

Frequently Asked Questions

What is the IUPAC name of methoxymethane;2-methoxy-4-prop-2-enylphenol;(4-methylphenyl) 2-methylpropanoate?
The IUPAC name of methoxymethane;2-methoxy-4-prop-2-enylphenol;(4-methylphenyl) 2-methylpropanoate (CID 137380786) is methoxymethane;2-methoxy-4-prop-2-enylphenol;(4-methylphenyl) 2-methylpropanoate.
What is the SMILES notation for methoxymethane;2-methoxy-4-prop-2-enylphenol;(4-methylphenyl) 2-methylpropanoate?
The canonical SMILES for methoxymethane;2-methoxy-4-prop-2-enylphenol;(4-methylphenyl) 2-methylpropanoate is C=CCc1ccc(O)c(OC)c1.COC.Cc1ccc(OC(=O)C(C)C)cc1.
What is the InChIKey of methoxymethane;2-methoxy-4-prop-2-enylphenol;(4-methylphenyl) 2-methylpropanoate?
The InChIKey is LTVCQUGQSQDDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2.C10H12O2.C2H6O/c1-8(2)11(12)13-10-6-4-9(3)5-7-10;1-3-4-8-5-6-9(11)10(7-8)12-2;1-3-2/h4-8H,1-3H3;3,5-7,11H,1,4H2,2H3;1-2H3.
What are the key properties of methoxymethane;2-methoxy-4-prop-2-enylphenol;(4-methylphenyl) 2-methylpropanoate?
methoxymethane;2-methoxy-4-prop-2-enylphenol;(4-methylphenyl) 2-methylpropanoate has a molecular weight of 388.50 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;2-methoxy-4-prop-2-enylphenol;(4-methylphenyl) 2-methylpropanoate is sourced from PubChem (CID 137380786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).