(4-hydroxyphenyl) prop-2-enoate;methoxymethane

C11H14O4 — CID 67882332

IUPAC(4-hydroxyphenyl) prop-2-enoate;methoxymethane
SMILESC=CC(=O)Oc1ccc(O)cc1.COC
InChIInChI=1S/C9H8O3.C2H6O/c1-2-9(11)12-8-5-3-7(10)4-6-8;1-3-2/h2-6,10H,1H2;1-2H3
InChIKeyMDSMCDPZYNHNAU-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.75
Rot. Bonds2

About (4-hydroxyphenyl) prop-2-enoate;methoxymethane

(4-hydroxyphenyl) prop-2-enoate;methoxymethane (PubChem CID 67882332) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is (4-hydroxyphenyl) prop-2-enoate;methoxymethane.

Molecular Properties

Compound Name(4-hydroxyphenyl) prop-2-enoate;methoxymethane
PubChem CID67882332
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name(4-hydroxyphenyl) prop-2-enoate;methoxymethane
SMILESC=CC(=O)Oc1ccc(O)cc1.COC
InChIInChI=1S/C9H8O3.C2H6O/c1-2-9(11)12-8-5-3-7(10)4-6-8;1-3-2/h2-6,10H,1H2;1-2H3
InChIKeyMDSMCDPZYNHNAU-UHFFFAOYSA-N
XLogP1.75
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-(4-hydroxyphenyl)phenyl] prop-2-enoate;2-methylprop-2-enoic acid
CID 161387897
benzene-1,4-diol;bis(methyl prop-2-enoate)
CID 174482971
benzene-1,4-diol;methyl prop-2-enoate
CID 161143106
benzene-1,4-diol;methoxymethane;prop-2-enoic acid
CID 67882333
methyl 4-prop-2-enoyloxybenzoate
CID 18402609
[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
CID 89273761
[4-[4-(4-prop-2-enoyloxyphenyl)sulfanylphenyl]sulfanylphenyl] prop-2-enoate
CID 59739086
[4-[bis(4-prop-2-enoyloxyphenyl)methyl]phenyl] prop-2-enoate
CID 90224723
(4-methylsulfonylphenyl) prop-2-enoate
CID 89374754
(4-butylphenyl) prop-2-enoate
CID 23635599
(4-phenylperoxyphenyl) prop-2-enoate
CID 163991970
(4-propanoylphenyl) prop-2-enoate
CID 86070287

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl) prop-2-enoate;methoxymethane?
The IUPAC name of (4-hydroxyphenyl) prop-2-enoate;methoxymethane (CID 67882332) is (4-hydroxyphenyl) prop-2-enoate;methoxymethane.
What is the SMILES notation for (4-hydroxyphenyl) prop-2-enoate;methoxymethane?
The canonical SMILES for (4-hydroxyphenyl) prop-2-enoate;methoxymethane is C=CC(=O)Oc1ccc(O)cc1.COC.
What is the InChIKey of (4-hydroxyphenyl) prop-2-enoate;methoxymethane?
The InChIKey is MDSMCDPZYNHNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3.C2H6O/c1-2-9(11)12-8-5-3-7(10)4-6-8;1-3-2/h2-6,10H,1H2;1-2H3.
What are the key properties of (4-hydroxyphenyl) prop-2-enoate;methoxymethane?
(4-hydroxyphenyl) prop-2-enoate;methoxymethane has a molecular weight of 210.23 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl) prop-2-enoate;methoxymethane is sourced from PubChem (CID 67882332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).