2-(3-chloropropoxy)acetic acid

C5H9ClO3 — CID 19745372

IUPAC2-(3-chloropropoxy)acetic acid
SMILESO=C(O)COCCCCl
InChIInChI=1S/C5H9ClO3/c6-2-1-3-9-4-5(7)8/h1-4H2,(H,7,8)
InChIKeyHTGRGMGCJWJZIB-UHFFFAOYSA-N
MW152.58 g/mol
LogP0.72
Rot. Bonds5

About 2-(3-chloropropoxy)acetic acid

2-(3-chloropropoxy)acetic acid (PubChem CID 19745372) has the molecular formula C5H9ClO3 and a molecular weight of 152.58 g/mol. Its IUPAC name is 2-(3-chloropropoxy)acetic acid.

Molecular Properties

Compound Name2-(3-chloropropoxy)acetic acid
PubChem CID19745372
Molecular FormulaC5H9ClO3
Molecular Weight152.58 g/mol
Exact Mass152.02
IUPAC Name2-(3-chloropropoxy)acetic acid
SMILESO=C(O)COCCCCl
InChIInChI=1S/C5H9ClO3/c6-2-1-3-9-4-5(7)8/h1-4H2,(H,7,8)
InChIKeyHTGRGMGCJWJZIB-UHFFFAOYSA-N
XLogP0.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.58
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 134694956
3-(3-chloropropoxy)propanoic acid
CID 139466020
3-(carboxymethoxy)propylazanide;rutherfordium
CID 58587208
2-[3-(2-methoxyethoxy)propoxy]acetic acid
CID 87577722
2-(12-fluorododecoxy)acetic acid
CID 21195352
2-pentadecoxyacetic acid
CID 19866534
2-(8-ethoxyoctoxy)acetic acid
CID 141124770
2-[4-(4-chlorobutoxy)butoxy]acetyl chloride
CID 139466008
2-nonadecoxyacetic acid
CID 91373626
2-octadecoxyacetic acid
CID 4147678
2-[2-(3-methoxypropoxy)ethoxy]acetic acid
CID 54027919
2-(3-pentoxypropoxy)acetic acid
CID 87690059

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropoxy)acetic acid?
The IUPAC name of 2-(3-chloropropoxy)acetic acid (CID 19745372) is 2-(3-chloropropoxy)acetic acid.
What is the SMILES notation for 2-(3-chloropropoxy)acetic acid?
The canonical SMILES for 2-(3-chloropropoxy)acetic acid is O=C(O)COCCCCl.
What is the InChIKey of 2-(3-chloropropoxy)acetic acid?
The InChIKey is HTGRGMGCJWJZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO3/c6-2-1-3-9-4-5(7)8/h1-4H2,(H,7,8).
What are the key properties of 2-(3-chloropropoxy)acetic acid?
2-(3-chloropropoxy)acetic acid has a molecular weight of 152.58 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropoxy)acetic acid is sourced from PubChem (CID 19745372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).