2-(4-chlorophenyl)-2-hydroxypropanoic acid

C9H9ClO3 — CID 10013044

IUPAC2-(4-chlorophenyl)-2-hydroxypropanoic acid
SMILESCC(O)(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClO3/c1-9(13,8(11)12)6-2-4-7(10)5-3-6/h2-5,13H,1H3,(H,11,12)
InChIKeyCUDDZZCNPJYPBF-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.63
Rot. Bonds2

About 2-(4-chlorophenyl)-2-hydroxypropanoic acid

2-(4-chlorophenyl)-2-hydroxypropanoic acid (PubChem CID 10013044) has the molecular formula C9H9ClO3 and a molecular weight of 200.62 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-hydroxypropanoic acid
PubChem CID10013044
Molecular FormulaC9H9ClO3
Molecular Weight200.62 g/mol
Exact Mass200.02
IUPAC Name2-(4-chlorophenyl)-2-hydroxypropanoic acid
SMILESCC(O)(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClO3/c1-9(13,8(11)12)6-2-4-7(10)5-3-6/h2-5,13H,1H3,(H,11,12)
InChIKeyCUDDZZCNPJYPBF-UHFFFAOYSA-N
XLogP1.63
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-2-(4-hydroxyphenyl)propanoic acid
CID 22056978
(2R)-2-hydroxy-2-(4-methylphenyl)propanoic acid
CID 21123439
(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858
2-hydroxy-2-(4-propan-2-ylphenyl)propanoic acid
CID 19855513
2-(3,4-difluorophenyl)-2-hydroxypropanoic acid
CID 61237250
2-(4-chlorophenyl)-N,2-dihydroxy-N-methylpropanamide
CID 14787850
2-hydroxy-2-methylpropanoic acid;2-hydroxy-2-phenylpropanoic acid
CID 70572731
2-[4-(4-chlorophenyl)phenyl]-2-methylpropanoic acid
CID 82039106
(2R)-2-(4-chlorophenyl)-2-(dimethylamino)propanoic acid
CID 51887906
2-(4-cyanophenyl)-2-hydroxypropanoic acid
CID 11513906
3-(4-chlorophenyl)-3-hydroxy-2-methylbutanoic acid
CID 62396227
2-(4-chlorophenyl)-2-(cyclopropylamino)propanoic acid
CID 43754458

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-hydroxypropanoic acid?
The IUPAC name of 2-(4-chlorophenyl)-2-hydroxypropanoic acid (CID 10013044) is 2-(4-chlorophenyl)-2-hydroxypropanoic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-2-hydroxypropanoic acid?
The canonical SMILES for 2-(4-chlorophenyl)-2-hydroxypropanoic acid is CC(O)(C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-hydroxypropanoic acid?
The InChIKey is CUDDZZCNPJYPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3/c1-9(13,8(11)12)6-2-4-7(10)5-3-6/h2-5,13H,1H3,(H,11,12).
What are the key properties of 2-(4-chlorophenyl)-2-hydroxypropanoic acid?
2-(4-chlorophenyl)-2-hydroxypropanoic acid has a molecular weight of 200.62 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-hydroxypropanoic acid is sourced from PubChem (CID 10013044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).