3-(4-chlorophenyl)-3-hydroxypropanoic acid

C9H9ClO3 — CID 11390037

IUPAC3-(4-chlorophenyl)-3-hydroxypropanoic acid
SMILESO=C(O)CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClO3/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-4,8,11H,5H2,(H,12,13)
InChIKeyNRRQHJBZRHOVAO-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.85
Rot. Bonds3

About 3-(4-chlorophenyl)-3-hydroxypropanoic acid

3-(4-chlorophenyl)-3-hydroxypropanoic acid (PubChem CID 11390037) has the molecular formula C9H9ClO3 and a molecular weight of 200.62 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-hydroxypropanoic acid
PubChem CID11390037
Molecular FormulaC9H9ClO3
Molecular Weight200.62 g/mol
Exact Mass200.02
IUPAC Name3-(4-chlorophenyl)-3-hydroxypropanoic acid
SMILESO=C(O)CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClO3/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-4,8,11H,5H2,(H,12,13)
InChIKeyNRRQHJBZRHOVAO-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-hydroxypropanoic acid?
The IUPAC name of 3-(4-chlorophenyl)-3-hydroxypropanoic acid (CID 11390037) is 3-(4-chlorophenyl)-3-hydroxypropanoic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-3-hydroxypropanoic acid?
The canonical SMILES for 3-(4-chlorophenyl)-3-hydroxypropanoic acid is O=C(O)CC(O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-hydroxypropanoic acid?
The InChIKey is NRRQHJBZRHOVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-4,8,11H,5H2,(H,12,13).
What are the key properties of 3-(4-chlorophenyl)-3-hydroxypropanoic acid?
3-(4-chlorophenyl)-3-hydroxypropanoic acid has a molecular weight of 200.62 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-hydroxypropanoic acid is sourced from PubChem (CID 11390037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).