2-(3-chloro-4-propoxyphenyl)acetic acid

C11H13ClO3 — CID 2084

IUPAC2-(3-chloro-4-propoxyphenyl)acetic acid
SMILESCCCOc1ccc(CC(=O)O)cc1Cl
InChIInChI=1S/C11H13ClO3/c1-2-5-15-10-4-3-8(6-9(10)12)7-11(13)14/h3-4,6H,2,5,7H2,1H3,(H,13,14)
InChIKeyQEJHPAGTOOIBFT-UHFFFAOYSA-N
MW228.67 g/mol
LogP2.76
Rot. Bonds5

About 2-(3-chloro-4-propoxyphenyl)acetic acid

2-(3-chloro-4-propoxyphenyl)acetic acid (PubChem CID 2084) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is 2-(3-chloro-4-propoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-4-propoxyphenyl)acetic acid
PubChem CID2084
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Name2-(3-chloro-4-propoxyphenyl)acetic acid
SMILESCCCOc1ccc(CC(=O)O)cc1Cl
InChIInChI=1S/C11H13ClO3/c1-2-5-15-10-4-3-8(6-9(10)12)7-11(13)14/h3-4,6H,2,5,7H2,1H3,(H,13,14)
InChIKeyQEJHPAGTOOIBFT-UHFFFAOYSA-N
XLogP2.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-propoxyphenyl)acetic acid?
The IUPAC name of 2-(3-chloro-4-propoxyphenyl)acetic acid (CID 2084) is 2-(3-chloro-4-propoxyphenyl)acetic acid.
What is the SMILES notation for 2-(3-chloro-4-propoxyphenyl)acetic acid?
The canonical SMILES for 2-(3-chloro-4-propoxyphenyl)acetic acid is CCCOc1ccc(CC(=O)O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-propoxyphenyl)acetic acid?
The InChIKey is QEJHPAGTOOIBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-2-5-15-10-4-3-8(6-9(10)12)7-11(13)14/h3-4,6H,2,5,7H2,1H3,(H,13,14).
What are the key properties of 2-(3-chloro-4-propoxyphenyl)acetic acid?
2-(3-chloro-4-propoxyphenyl)acetic acid has a molecular weight of 228.67 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-propoxyphenyl)acetic acid is sourced from PubChem (CID 2084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).