5-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]oxolane-2-carboxylic acid

C14H18O6 — CID 107742364

IUPAC5-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]oxolane-2-carboxylic acid
SMILESCOc1cc(CO)ccc1OCC1CCC(C(=O)O)O1
InChIInChI=1S/C14H18O6/c1-18-13-6-9(7-15)2-4-11(13)19-8-10-3-5-12(20-10)14(16)17/h2,4,6,10,12,15H,3,5,7-8H2,1H3,(H,16,17)
InChIKeyAHYPECWMTMPNBK-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.20
Rot. Bonds6

About 5-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]oxolane-2-carboxylic acid

5-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]oxolane-2-carboxylic acid (PubChem CID 107742364) has the molecular formula C14H18O6 and a molecular weight of 282.29 g/mol. Its IUPAC name is 5-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]oxolane-2-carboxylic acid
PubChem CID107742364
Molecular FormulaC14H18O6
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Name5-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]oxolane-2-carboxylic acid
SMILESCOc1cc(CO)ccc1OCC1CCC(C(=O)O)O1
InChIInChI=1S/C14H18O6/c1-18-13-6-9(7-15)2-4-11(13)19-8-10-3-5-12(20-10)14(16)17/h2,4,6,10,12,15H,3,5,7-8H2,1H3,(H,16,17)
InChIKeyAHYPECWMTMPNBK-UHFFFAOYSA-N
XLogP1.20
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,6-dimethoxy-4-methylphenoxy)methyl]oxolane-2-carboxylic acid
CID 62298871
5-[(2-methoxy-4-methylphenoxy)methyl]oxolane-2-carbohydrazide
CID 63574989
5-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid
CID 62300639
2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]prop-2-enoic acid
CID 107742387
5-[(2-fluorophenoxy)methyl]oxolane-2-carboxylic acid
CID 62299212
5-[[4-(3-oxobutyl)phenoxy]methyl]oxolane-2-carboxylic acid
CID 62301158
[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol
CID 107690882
5-[(4-bromo-3-methylphenoxy)methyl]oxolane-2-carboxylic acid
CID 83132991
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethanol
CID 117318422
5-[(2,4,6-triiodophenoxy)methyl]oxolane-2-carboxylic acid
CID 55187019
5-[(2,6-dibromophenoxy)methyl]oxolane-2-carboxylic acid
CID 62299573
1-[3-methoxy-4-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine
CID 103136595

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]oxolane-2-carboxylic acid (CID 107742364) is 5-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]oxolane-2-carboxylic acid is COc1cc(CO)ccc1OCC1CCC(C(=O)O)O1.
What is the InChIKey of 5-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]oxolane-2-carboxylic acid?
The InChIKey is AHYPECWMTMPNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O6/c1-18-13-6-9(7-15)2-4-11(13)19-8-10-3-5-12(20-10)14(16)17/h2,4,6,10,12,15H,3,5,7-8H2,1H3,(H,16,17).
What are the key properties of 5-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]oxolane-2-carboxylic acid?
5-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]oxolane-2-carboxylic acid has a molecular weight of 282.29 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 107742364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).