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

C14H11ClO4 — CID 63681354

IUPAC4-chloro-2-[2-(hydroxymethyl)phenoxy]benzoic acid
SMILESO=C(O)c1ccc(Cl)cc1Oc1ccccc1CO
InChIInChI=1S/C14H11ClO4/c15-10-5-6-11(14(17)18)13(7-10)19-12-4-2-1-3-9(12)8-16/h1-7,16H,8H2,(H,17,18)
InChIKeyWVURRKMJAMGLMV-UHFFFAOYSA-N
MW278.69 g/mol
LogP3.32
Rot. Bonds4

About 4-chloro-2-[2-(hydroxymethyl)phenoxy]benzoic acid

4-chloro-2-[2-(hydroxymethyl)phenoxy]benzoic acid (PubChem CID 63681354) has the molecular formula C14H11ClO4 and a molecular weight of 278.69 g/mol. Its IUPAC name is 4-chloro-2-[2-(hydroxymethyl)phenoxy]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[2-(hydroxymethyl)phenoxy]benzoic acid
PubChem CID63681354
Molecular FormulaC14H11ClO4
Molecular Weight278.69 g/mol
Exact Mass278.03
IUPAC Name4-chloro-2-[2-(hydroxymethyl)phenoxy]benzoic acid
SMILESO=C(O)c1ccc(Cl)cc1Oc1ccccc1CO
InChIInChI=1S/C14H11ClO4/c15-10-5-6-11(14(17)18)13(7-10)19-12-4-2-1-3-9(12)8-16/h1-7,16H,8H2,(H,17,18)
InChIKeyWVURRKMJAMGLMV-UHFFFAOYSA-N
XLogP3.32
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[2-(hydroxymethyl)phenoxy]benzoic acid
CID 63652911
2-[2-(hydroxymethyl)phenoxy]benzoic acid
CID 63653260
4-chloro-2-(2-propoxyphenoxy)benzoic acid
CID 63082699
4-chloro-2-(2,3-difluorophenoxy)benzoic acid
CID 63082872
[2-(5-chloro-2-nitrophenoxy)phenyl]methanol
CID 62304673
4-chloro-2-quinolin-4-yloxybenzoic acid
CID 61395926
4-chloro-2-(5-chloro-2-nitrophenoxy)benzoic acid
CID 63082703
4-chloro-2-(2-phenylethoxy)benzoic acid
CID 61379685
2-[2-(hydroxymethyl)phenoxy]benzamide
CID 28945887
[5-chloro-2-(2-methoxyphenoxy)phenyl]methanol
CID 114846046
4-chloro-2-(4-iodophenoxy)benzoic acid
CID 63514896
4-chloro-2-(6-hydroxyhexoxy)benzoic acid
CID 104651474

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(hydroxymethyl)phenoxy]benzoic acid?
The IUPAC name of 4-chloro-2-[2-(hydroxymethyl)phenoxy]benzoic acid (CID 63681354) is 4-chloro-2-[2-(hydroxymethyl)phenoxy]benzoic acid.
What is the SMILES notation for 4-chloro-2-[2-(hydroxymethyl)phenoxy]benzoic acid?
The canonical SMILES for 4-chloro-2-[2-(hydroxymethyl)phenoxy]benzoic acid is O=C(O)c1ccc(Cl)cc1Oc1ccccc1CO.
What is the InChIKey of 4-chloro-2-[2-(hydroxymethyl)phenoxy]benzoic acid?
The InChIKey is WVURRKMJAMGLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO4/c15-10-5-6-11(14(17)18)13(7-10)19-12-4-2-1-3-9(12)8-16/h1-7,16H,8H2,(H,17,18).
What are the key properties of 4-chloro-2-[2-(hydroxymethyl)phenoxy]benzoic acid?
4-chloro-2-[2-(hydroxymethyl)phenoxy]benzoic acid has a molecular weight of 278.69 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(hydroxymethyl)phenoxy]benzoic acid is sourced from PubChem (CID 63681354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).