2-[4-chloro-2-(hydroxymethyl)phenyl]acetic acid

C9H9ClO3 — CID 69113345

IUPAC2-[4-chloro-2-(hydroxymethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Cl)cc1CO
InChIInChI=1S/C9H9ClO3/c10-8-2-1-6(4-9(12)13)7(3-8)5-11/h1-3,11H,4-5H2,(H,12,13)
InChIKeyARFMAODCOGVZBJ-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.46
Rot. Bonds3

About 2-[4-chloro-2-(hydroxymethyl)phenyl]acetic acid

2-[4-chloro-2-(hydroxymethyl)phenyl]acetic acid (PubChem CID 69113345) has the molecular formula C9H9ClO3 and a molecular weight of 200.62 g/mol. Its IUPAC name is 2-[4-chloro-2-(hydroxymethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-2-(hydroxymethyl)phenyl]acetic acid
PubChem CID69113345
Molecular FormulaC9H9ClO3
Molecular Weight200.62 g/mol
Exact Mass200.02
IUPAC Name2-[4-chloro-2-(hydroxymethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Cl)cc1CO
InChIInChI=1S/C9H9ClO3/c10-8-2-1-6(4-9(12)13)7(3-8)5-11/h1-3,11H,4-5H2,(H,12,13)
InChIKeyARFMAODCOGVZBJ-UHFFFAOYSA-N
XLogP1.46
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(carboxymethyl)-5-chlorophenyl]propanoic acid
CID 118836350
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
2-(5-chloro-2-sulfanylphenyl)acetic acid
CID 13158579
(4-chloro-2-propylphenyl)methanol
CID 165125586
2-chloro-1-[4-chloro-2-(hydroxymethyl)phenyl]propan-1-one
CID 119001460
2-[2-(4-tert-butylphenyl)-5-chlorophenyl]acetic acid
CID 11558530
2-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]acetic acid
CID 12957639
5-(2,5-dichlorophenyl)-1-hydroxypentan-2-one
CID 11543297
2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]acetic acid
CID 13409359
2-[4-chloro-2-(1,2,4-trihydroxybutyl)phenyl]acetic acid
CID 171872843
2-[2-chloro-4-(2,5-dichlorophenyl)phenyl]acetic acid
CID 176516194
2-(6-chloro-1-benzofuran-2-yl)acetic acid
CID 82612573

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(hydroxymethyl)phenyl]acetic acid?
The IUPAC name of 2-[4-chloro-2-(hydroxymethyl)phenyl]acetic acid (CID 69113345) is 2-[4-chloro-2-(hydroxymethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-chloro-2-(hydroxymethyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-chloro-2-(hydroxymethyl)phenyl]acetic acid is O=C(O)Cc1ccc(Cl)cc1CO.
What is the InChIKey of 2-[4-chloro-2-(hydroxymethyl)phenyl]acetic acid?
The InChIKey is ARFMAODCOGVZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3/c10-8-2-1-6(4-9(12)13)7(3-8)5-11/h1-3,11H,4-5H2,(H,12,13).
What are the key properties of 2-[4-chloro-2-(hydroxymethyl)phenyl]acetic acid?
2-[4-chloro-2-(hydroxymethyl)phenyl]acetic acid has a molecular weight of 200.62 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(hydroxymethyl)phenyl]acetic acid is sourced from PubChem (CID 69113345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).