2-[2-(3-chloropropyl)-5-hydroxyphenyl]-2-hydroxyacetic acid

C11H13ClO4 — CID 118848081

IUPAC2-[2-(3-chloropropyl)-5-hydroxyphenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(O)ccc1CCCCl
InChIInChI=1S/C11H13ClO4/c12-5-1-2-7-3-4-8(13)6-9(7)10(14)11(15)16/h3-4,6,10,13-14H,1-2,5H2,(H,15,16)
InChIKeyOTSNEODVLCNHFR-UHFFFAOYSA-N
MW244.67 g/mol
LogP1.68
Rot. Bonds5

About 2-[2-(3-chloropropyl)-5-hydroxyphenyl]-2-hydroxyacetic acid

2-[2-(3-chloropropyl)-5-hydroxyphenyl]-2-hydroxyacetic acid (PubChem CID 118848081) has the molecular formula C11H13ClO4 and a molecular weight of 244.67 g/mol. Its IUPAC name is 2-[2-(3-chloropropyl)-5-hydroxyphenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[2-(3-chloropropyl)-5-hydroxyphenyl]-2-hydroxyacetic acid
PubChem CID118848081
Molecular FormulaC11H13ClO4
Molecular Weight244.67 g/mol
Exact Mass244.05
IUPAC Name2-[2-(3-chloropropyl)-5-hydroxyphenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(O)ccc1CCCCl
InChIInChI=1S/C11H13ClO4/c12-5-1-2-7-3-4-8(13)6-9(7)10(14)11(15)16/h3-4,6,10,13-14H,1-2,5H2,(H,15,16)
InChIKeyOTSNEODVLCNHFR-UHFFFAOYSA-N
XLogP1.68
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.67
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[carboxy(hydroxy)methyl]-4-hydroxyphenyl]propanoic acid
CID 118813803
2-[4-chloro-2-(3-chloropropyl)phenyl]-2-hydroxyacetic acid
CID 134656362
2-[4-amino-2-(3-chloropropyl)phenyl]-2-hydroxyacetic acid
CID 118812332
2-[4-bromo-2-(3-chloropropyl)phenyl]-2-hydroxyacetic acid
CID 134656204
2-[2-(3-chloropropyl)-4-methylphenyl]-2-hydroxyacetic acid
CID 118814212
2-[2-chloro-3-(3-chloropropyl)phenyl]-2-hydroxyacetic acid
CID 119007903
2-[2-(3-chloropropyl)-4-methylsulfanylphenyl]-2-hydroxyacetic acid
CID 118836580
2-[2-(3-chloropropyl)-4-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 134657979
4-(chloromethyl)-3-(3-chloropropyl)phenol
CID 131386384
2-[2-(3-bromopropyl)-5-fluorophenyl]-2-hydroxyacetic acid
CID 118819646
2-[2-(3-chloropropyl)-3-iodophenyl]-2-hydroxyacetic acid
CID 134657421
2-[2-(1-chloro-2-oxopropyl)-4-hydroxyphenyl]-2-hydroxyacetic acid
CID 134657321

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloropropyl)-5-hydroxyphenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[2-(3-chloropropyl)-5-hydroxyphenyl]-2-hydroxyacetic acid (CID 118848081) is 2-[2-(3-chloropropyl)-5-hydroxyphenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[2-(3-chloropropyl)-5-hydroxyphenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[2-(3-chloropropyl)-5-hydroxyphenyl]-2-hydroxyacetic acid is O=C(O)C(O)c1cc(O)ccc1CCCCl.
What is the InChIKey of 2-[2-(3-chloropropyl)-5-hydroxyphenyl]-2-hydroxyacetic acid?
The InChIKey is OTSNEODVLCNHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO4/c12-5-1-2-7-3-4-8(13)6-9(7)10(14)11(15)16/h3-4,6,10,13-14H,1-2,5H2,(H,15,16).
What are the key properties of 2-[2-(3-chloropropyl)-5-hydroxyphenyl]-2-hydroxyacetic acid?
2-[2-(3-chloropropyl)-5-hydroxyphenyl]-2-hydroxyacetic acid has a molecular weight of 244.67 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloropropyl)-5-hydroxyphenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 118848081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).