2-[2-(hydroxymethyl)phenoxy]benzoic acid

C14H12O4 — CID 63653260

IUPAC2-[2-(hydroxymethyl)phenoxy]benzoic acid
SMILESO=C(O)c1ccccc1Oc1ccccc1CO
InChIInChI=1S/C14H12O4/c15-9-10-5-1-3-7-12(10)18-13-8-4-2-6-11(13)14(16)17/h1-8,15H,9H2,(H,16,17)
InChIKeyZFQQHAGBEILWNS-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.67
Rot. Bonds4

About 2-[2-(hydroxymethyl)phenoxy]benzoic acid

2-[2-(hydroxymethyl)phenoxy]benzoic acid (PubChem CID 63653260) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)phenoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)phenoxy]benzoic acid
PubChem CID63653260
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name2-[2-(hydroxymethyl)phenoxy]benzoic acid
SMILESO=C(O)c1ccccc1Oc1ccccc1CO
InChIInChI=1S/C14H12O4/c15-9-10-5-1-3-7-12(10)18-13-8-4-2-6-11(13)14(16)17/h1-8,15H,9H2,(H,16,17)
InChIKeyZFQQHAGBEILWNS-UHFFFAOYSA-N
XLogP2.67
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(hydroxymethyl)phenoxy]benzamide
CID 28945887
4-chloro-2-[2-(hydroxymethyl)phenoxy]benzoic acid
CID 63681354
5-chloro-2-[2-(hydroxymethyl)phenoxy]benzoic acid
CID 63652911
2-(2-carboxyphenoxy)benzoic acid;ethene
CID 67642848
2-[2,3-bis(2-carboxyphenoxy)phenoxy]benzoic acid
CID 68804426
2-[2-[2-(carboxymethyl)phenoxy]phenyl]acetic acid
CID 14801619
2-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 63653288
5-amino-2-[2-(hydroxymethyl)phenoxy]benzamide
CID 63652229
3-bromo-4-[2-(hydroxymethyl)phenoxy]benzoic acid
CID 82801751
2-(2-methoxycarbonylphenoxy)benzoic acid
CID 166513979
5-[2-(hydroxymethyl)phenoxy]furan-2-carboxylic acid
CID 55244838
2-[2-(carboxymethyl)-5-methylphenoxy]benzoic acid
CID 19102969

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)phenoxy]benzoic acid?
The IUPAC name of 2-[2-(hydroxymethyl)phenoxy]benzoic acid (CID 63653260) is 2-[2-(hydroxymethyl)phenoxy]benzoic acid.
What is the SMILES notation for 2-[2-(hydroxymethyl)phenoxy]benzoic acid?
The canonical SMILES for 2-[2-(hydroxymethyl)phenoxy]benzoic acid is O=C(O)c1ccccc1Oc1ccccc1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)phenoxy]benzoic acid?
The InChIKey is ZFQQHAGBEILWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c15-9-10-5-1-3-7-12(10)18-13-8-4-2-6-11(13)14(16)17/h1-8,15H,9H2,(H,16,17).
What are the key properties of 2-[2-(hydroxymethyl)phenoxy]benzoic acid?
2-[2-(hydroxymethyl)phenoxy]benzoic acid has a molecular weight of 244.25 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)phenoxy]benzoic acid is sourced from PubChem (CID 63653260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).