3-(4-chlorophenyl)-2-methoxypropanoic acid

C10H11ClO3 — CID 46856386

IUPAC3-(4-chlorophenyl)-2-methoxypropanoic acid
SMILESCOC(Cc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C10H11ClO3/c1-14-9(10(12)13)6-7-2-4-8(11)5-3-7/h2-5,9H,6H2,1H3,(H,12,13)
InChIKeyHLTZEXKDHFIJKM-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.98
Rot. Bonds4

About 3-(4-chlorophenyl)-2-methoxypropanoic acid

3-(4-chlorophenyl)-2-methoxypropanoic acid (PubChem CID 46856386) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-methoxypropanoic acid
PubChem CID46856386
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name3-(4-chlorophenyl)-2-methoxypropanoic acid
SMILESCOC(Cc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C10H11ClO3/c1-14-9(10(12)13)6-7-2-4-8(11)5-3-7/h2-5,9H,6H2,1H3,(H,12,13)
InChIKeyHLTZEXKDHFIJKM-UHFFFAOYSA-N
XLogP1.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-methoxypropanoic acid?
The IUPAC name of 3-(4-chlorophenyl)-2-methoxypropanoic acid (CID 46856386) is 3-(4-chlorophenyl)-2-methoxypropanoic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-2-methoxypropanoic acid?
The canonical SMILES for 3-(4-chlorophenyl)-2-methoxypropanoic acid is COC(Cc1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of 3-(4-chlorophenyl)-2-methoxypropanoic acid?
The InChIKey is HLTZEXKDHFIJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-14-9(10(12)13)6-7-2-4-8(11)5-3-7/h2-5,9H,6H2,1H3,(H,12,13).
What are the key properties of 3-(4-chlorophenyl)-2-methoxypropanoic acid?
3-(4-chlorophenyl)-2-methoxypropanoic acid has a molecular weight of 214.65 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-methoxypropanoic acid is sourced from PubChem (CID 46856386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).