(2-methoxyphenyl) 2-(hydroxymethyl)prop-2-enoate

C11H12O4 — CID 69304242

IUPAC(2-methoxyphenyl) 2-(hydroxymethyl)prop-2-enoate
SMILESC=C(CO)C(=O)Oc1ccccc1OC
InChIInChI=1S/C11H12O4/c1-8(7-12)11(13)15-10-6-4-3-5-9(10)14-2/h3-6,12H,1,7H2,2H3
InChIKeyCXEZVBBXRAQFDH-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.15
Rot. Bonds4

About (2-methoxyphenyl) 2-(hydroxymethyl)prop-2-enoate

(2-methoxyphenyl) 2-(hydroxymethyl)prop-2-enoate (PubChem CID 69304242) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is (2-methoxyphenyl) 2-(hydroxymethyl)prop-2-enoate.

Molecular Properties

Compound Name(2-methoxyphenyl) 2-(hydroxymethyl)prop-2-enoate
PubChem CID69304242
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name(2-methoxyphenyl) 2-(hydroxymethyl)prop-2-enoate
SMILESC=C(CO)C(=O)Oc1ccccc1OC
InChIInChI=1S/C11H12O4/c1-8(7-12)11(13)15-10-6-4-3-5-9(10)14-2/h3-6,12H,1,7H2,2H3
InChIKeyCXEZVBBXRAQFDH-UHFFFAOYSA-N
XLogP1.15
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.15
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

2-(2-methoxyphenoxy)-2-oxoacetic acid
CID 14886364
2-(2-methoxyphenyl)prop-2-enamide
CID 67011938
(2-methoxyphenyl) prop-2-enoate
CID 22987486
(2-methoxyphenyl) 2-methoxyacetate
CID 53423767
(2-methoxyphenyl) 2-methylpropanoate
CID 836904
[2-(trifluoromethoxy)phenyl] 2-methylidenebutanoate
CID 118040117
(2-methylphenyl) 2-methylidenehexanoate
CID 139998276
(2-methoxyphenyl) 2,2,2-trifluoroacetate
CID 613204
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
azane;1,2-dimethoxybenzene
CID 174437926
6-(2-methoxyphenoxy)hexyl 2-methylprop-2-enoate
CID 90308739
(2-methoxyphenyl) dodecanoate
CID 139927041

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 2-(hydroxymethyl)prop-2-enoate?
The IUPAC name of (2-methoxyphenyl) 2-(hydroxymethyl)prop-2-enoate (CID 69304242) is (2-methoxyphenyl) 2-(hydroxymethyl)prop-2-enoate.
What is the SMILES notation for (2-methoxyphenyl) 2-(hydroxymethyl)prop-2-enoate?
The canonical SMILES for (2-methoxyphenyl) 2-(hydroxymethyl)prop-2-enoate is C=C(CO)C(=O)Oc1ccccc1OC.
What is the InChIKey of (2-methoxyphenyl) 2-(hydroxymethyl)prop-2-enoate?
The InChIKey is CXEZVBBXRAQFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-8(7-12)11(13)15-10-6-4-3-5-9(10)14-2/h3-6,12H,1,7H2,2H3.
What are the key properties of (2-methoxyphenyl) 2-(hydroxymethyl)prop-2-enoate?
(2-methoxyphenyl) 2-(hydroxymethyl)prop-2-enoate has a molecular weight of 208.21 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 2-(hydroxymethyl)prop-2-enoate is sourced from PubChem (CID 69304242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).