2-(hydroxymethyl)-4-[2-(hydroxymethyl)phenoxy]phenolate

C14H13O4- — CID 102341348

IUPAC2-(hydroxymethyl)-4-[2-(hydroxymethyl)phenoxy]phenolate
SMILES[O-]c1ccc(Oc2ccccc2CO)cc1CO
InChIInChI=1S/C14H14O4/c15-8-10-3-1-2-4-14(10)18-12-5-6-13(17)11(7-12)9-16/h1-7,15-17H,8-9H2/p-1
InChIKeyAVRJRNRPYACBEO-UHFFFAOYSA-M
MW245.25 g/mol
LogP1.54
Rot. Bonds4

About 2-(hydroxymethyl)-4-[2-(hydroxymethyl)phenoxy]phenolate

2-(hydroxymethyl)-4-[2-(hydroxymethyl)phenoxy]phenolate (PubChem CID 102341348) has the molecular formula C14H13O4- and a molecular weight of 245.25 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-[2-(hydroxymethyl)phenoxy]phenolate.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-[2-(hydroxymethyl)phenoxy]phenolate
PubChem CID102341348
Molecular FormulaC14H13O4-
Molecular Weight245.25 g/mol
Exact Mass245.08
IUPAC Name2-(hydroxymethyl)-4-[2-(hydroxymethyl)phenoxy]phenolate
SMILES[O-]c1ccc(Oc2ccccc2CO)cc1CO
InChIInChI=1S/C14H14O4/c15-8-10-3-1-2-4-14(10)18-12-5-6-13(17)11(7-12)9-16/h1-7,15-17H,8-9H2/p-1
InChIKeyAVRJRNRPYACBEO-UHFFFAOYSA-M
XLogP1.54
TPSA72.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-(hydroxymethyl)phenoxy]-2-methylphenyl]methanol
CID 63653809
[2-(3-bromo-4-fluorophenoxy)phenyl]methanol
CID 83235131
2-chloro-4-[2-(hydroxymethyl)phenoxy]benzaldehyde
CID 114064189
[2-[3-(aminomethyl)phenoxy]phenyl]methanol
CID 63942730
[2-[3-(trifluoromethyl)phenoxy]phenyl]methanol
CID 3700252
4-[2-(hydroxymethyl)phenoxy]-2-methylbenzenecarbothioamide
CID 81277565
4-[2-(hydroxymethyl)phenoxy]benzamide
CID 28946171
1-[5-[2-(hydroxymethyl)phenoxy]-2-pyridinyl]ethanone
CID 83119591
[2-(3-bromo-5-fluorophenoxy)phenyl]methanol
CID 81331819
4-[2-(hydroxymethyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 107713393
[2-[[5-(ethylamino)-3-pyridinyl]oxy]phenyl]methanol
CID 113424392
1,3-bis[2-(chloromethyl)phenoxy]benzene
CID 19038526

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-[2-(hydroxymethyl)phenoxy]phenolate?
The IUPAC name of 2-(hydroxymethyl)-4-[2-(hydroxymethyl)phenoxy]phenolate (CID 102341348) is 2-(hydroxymethyl)-4-[2-(hydroxymethyl)phenoxy]phenolate.
What is the SMILES notation for 2-(hydroxymethyl)-4-[2-(hydroxymethyl)phenoxy]phenolate?
The canonical SMILES for 2-(hydroxymethyl)-4-[2-(hydroxymethyl)phenoxy]phenolate is [O-]c1ccc(Oc2ccccc2CO)cc1CO.
What is the InChIKey of 2-(hydroxymethyl)-4-[2-(hydroxymethyl)phenoxy]phenolate?
The InChIKey is AVRJRNRPYACBEO-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H14O4/c15-8-10-3-1-2-4-14(10)18-12-5-6-13(17)11(7-12)9-16/h1-7,15-17H,8-9H2/p-1.
What are the key properties of 2-(hydroxymethyl)-4-[2-(hydroxymethyl)phenoxy]phenolate?
2-(hydroxymethyl)-4-[2-(hydroxymethyl)phenoxy]phenolate has a molecular weight of 245.25 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-[2-(hydroxymethyl)phenoxy]phenolate is sourced from PubChem (CID 102341348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).