3-(3-chlorophenyl)-2-propoxypropanoic acid

C12H15ClO3 — CID 133240512

IUPAC3-(3-chlorophenyl)-2-propoxypropanoic acid
SMILESCCCOC(Cc1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C12H15ClO3/c1-2-6-16-11(12(14)15)8-9-4-3-5-10(13)7-9/h3-5,7,11H,2,6,8H2,1H3,(H,14,15)
InChIKeyFEGGGTSTUBTYKF-UHFFFAOYSA-N
MW242.70 g/mol
LogP2.76
Rot. Bonds6

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

3-(3-chlorophenyl)-2-propoxypropanoic acid (PubChem CID 133240512) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-propoxypropanoic acid.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-propoxypropanoic acid
PubChem CID133240512
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Name3-(3-chlorophenyl)-2-propoxypropanoic acid
SMILESCCCOC(Cc1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C12H15ClO3/c1-2-6-16-11(12(14)15)8-9-4-3-5-10(13)7-9/h3-5,7,11H,2,6,8H2,1H3,(H,14,15)
InChIKeyFEGGGTSTUBTYKF-UHFFFAOYSA-N
XLogP2.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-(3-chlorophenyl)-2-propoxypropanoic acid
CID 100534108
3-(3-chlorophenyl)-2-ethoxypropanoic acid
CID 84726077
(2R)-3-(3-methoxyphenyl)-2-propoxypropanoic acid
CID 100542833
2-[(3-chlorophenyl)methoxy]pentanoic acid
CID 83038083
(2S)-3-(3-chlorophenyl)-2-(4-methoxyphenoxy)propanoic acid
CID 100533934
3-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]-2-ethoxypropanoic acid
CID 139894799
(2S)-2-butoxy-3-(3,4-dichlorophenyl)propanoic acid
CID 100540443
(2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 39240389
(2S)-3-(5-chloro-2-phenoxyphenyl)-2-propoxypropanoic acid
CID 100550485
3-(4-phenylmethoxyphenyl)-2-propoxypropanoic acid
CID 18443572
(2R)-2-(3-chlorophenoxy)-3-phenylpropanoic acid
CID 100524120
2-ethoxy-3-(3-methylphenyl)propanoic acid
CID 84722685

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-propoxypropanoic acid?
The IUPAC name of 3-(3-chlorophenyl)-2-propoxypropanoic acid (CID 133240512) is 3-(3-chlorophenyl)-2-propoxypropanoic acid.
What is the SMILES notation for 3-(3-chlorophenyl)-2-propoxypropanoic acid?
The canonical SMILES for 3-(3-chlorophenyl)-2-propoxypropanoic acid is CCCOC(Cc1cccc(Cl)c1)C(=O)O.
What is the InChIKey of 3-(3-chlorophenyl)-2-propoxypropanoic acid?
The InChIKey is FEGGGTSTUBTYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-2-6-16-11(12(14)15)8-9-4-3-5-10(13)7-9/h3-5,7,11H,2,6,8H2,1H3,(H,14,15).
What are the key properties of 3-(3-chlorophenyl)-2-propoxypropanoic acid?
3-(3-chlorophenyl)-2-propoxypropanoic acid has a molecular weight of 242.70 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-propoxypropanoic acid is sourced from PubChem (CID 133240512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).