2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]prop-2-enoic acid

C12H14O5 — CID 107742387

IUPAC2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]prop-2-enoic acid
SMILESC=C(COc1ccc(CO)cc1OC)C(=O)O
InChIInChI=1S/C12H14O5/c1-8(12(14)15)7-17-10-4-3-9(6-13)5-11(10)16-2/h3-5,13H,1,6-7H2,2H3,(H,14,15)
InChIKeyANYBQWNSPVSIAM-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.21
Rot. Bonds6

About 2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]prop-2-enoic acid

2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]prop-2-enoic acid (PubChem CID 107742387) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]prop-2-enoic acid
PubChem CID107742387
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Name2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]prop-2-enoic acid
SMILESC=C(COc1ccc(CO)cc1OC)C(=O)O
InChIInChI=1S/C12H14O5/c1-8(12(14)15)7-17-10-4-3-9(6-13)5-11(10)16-2/h3-5,13H,1,6-7H2,2H3,(H,14,15)
InChIKeyANYBQWNSPVSIAM-UHFFFAOYSA-N
XLogP1.21
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-acetyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetohydrazide
CID 3903060
[4-methoxy-3-(2-methylprop-2-enoxy)phenyl]methanol
CID 28562276
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide
CID 19621775
4-(hydroxymethyl)-2-methoxyphenol;bis(2-methylprop-2-enoic acid)
CID 118541193
[3-methoxy-4-[2-[(propan-2-ylamino)methyl]prop-2-enoxy]phenyl]methanol
CID 107743674
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(1-phenylethyl)acetamide
CID 19621809
N-butyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide
CID 60627689
3-[4-(carboxymethoxy)-3-methoxyphenyl]propanoic acid
CID 121016138
[3-methoxy-4-(2-phenylethoxy)phenyl]methanol
CID 28562144
5-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]oxolane-2-carboxylic acid
CID 107742364
acetic acid;[5-(hydroxymethyl)-2-methoxyphenyl] acetate
CID 71380784
(3-methoxy-4-phosphanyloxyphenyl)methanol
CID 89023367

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]prop-2-enoic acid?
The IUPAC name of 2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]prop-2-enoic acid (CID 107742387) is 2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]prop-2-enoic acid?
The canonical SMILES for 2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]prop-2-enoic acid is C=C(COc1ccc(CO)cc1OC)C(=O)O.
What is the InChIKey of 2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]prop-2-enoic acid?
The InChIKey is ANYBQWNSPVSIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c1-8(12(14)15)7-17-10-4-3-9(6-13)5-11(10)16-2/h3-5,13H,1,6-7H2,2H3,(H,14,15).
What are the key properties of 2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]prop-2-enoic acid?
2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]prop-2-enoic acid has a molecular weight of 238.24 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]prop-2-enoic acid is sourced from PubChem (CID 107742387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).