2-(3-chlorophenyl)-2-hydroxybutanoic acid

C10H11ClO3 — CID 61238172

IUPAC2-(3-chlorophenyl)-2-hydroxybutanoic acid
SMILESCCC(O)(C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C10H11ClO3/c1-2-10(14,9(12)13)7-4-3-5-8(11)6-7/h3-6,14H,2H2,1H3,(H,12,13)
InChIKeyUBAZPZJVHDVJLY-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.02
Rot. Bonds3

About 2-(3-chlorophenyl)-2-hydroxybutanoic acid

2-(3-chlorophenyl)-2-hydroxybutanoic acid (PubChem CID 61238172) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-hydroxybutanoic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-hydroxybutanoic acid
PubChem CID61238172
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name2-(3-chlorophenyl)-2-hydroxybutanoic acid
SMILESCCC(O)(C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C10H11ClO3/c1-2-10(14,9(12)13)7-4-3-5-8(11)6-7/h3-6,14H,2H2,1H3,(H,12,13)
InChIKeyUBAZPZJVHDVJLY-UHFFFAOYSA-N
XLogP2.02
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Chlorobenzilate
CID 10522
Chloropropylate
CID 22094
Benzilic acid
CID 6463
Chlorflurenol
CID 17169
4-Chloromandelic acid
CID 10299
Atrolactic acid
CID 1303
(S)-Atrolactic acid
CID 445144
3-Chlorophenylacetic acid
CID 15879
2-Chloromandelic acid
CID 97720
2-Hydroxy-2-phenylbutanoic acid
CID 287322
2-(3-Chlorophenyl)-3-methyl-2,3-butanediol
CID 26369
(-)-2-Chloromandelic acid
CID 2733641

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-hydroxybutanoic acid?
The IUPAC name of 2-(3-chlorophenyl)-2-hydroxybutanoic acid (CID 61238172) is 2-(3-chlorophenyl)-2-hydroxybutanoic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-2-hydroxybutanoic acid?
The canonical SMILES for 2-(3-chlorophenyl)-2-hydroxybutanoic acid is CCC(O)(C(=O)O)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-hydroxybutanoic acid?
The InChIKey is UBAZPZJVHDVJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-2-10(14,9(12)13)7-4-3-5-8(11)6-7/h3-6,14H,2H2,1H3,(H,12,13).
What are the key properties of 2-(3-chlorophenyl)-2-hydroxybutanoic acid?
2-(3-chlorophenyl)-2-hydroxybutanoic acid has a molecular weight of 214.65 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-hydroxybutanoic acid is sourced from PubChem (CID 61238172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).