2-[3-(3-bromopropyl)-2-chlorophenyl]-2-hydroxyacetic acid

C11H12BrClO3 — CID 134656304

IUPAC2-[3-(3-bromopropyl)-2-chlorophenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cccc(CCCBr)c1Cl
InChIInChI=1S/C11H12BrClO3/c12-6-2-4-7-3-1-5-8(9(7)13)10(14)11(15)16/h1,3,5,10,14H,2,4,6H2,(H,15,16)
InChIKeyDJAHGASRVRJVFH-UHFFFAOYSA-N
MW307.57 g/mol
LogP2.79
Rot. Bonds5

About 2-[3-(3-bromopropyl)-2-chlorophenyl]-2-hydroxyacetic acid

2-[3-(3-bromopropyl)-2-chlorophenyl]-2-hydroxyacetic acid (PubChem CID 134656304) has the molecular formula C11H12BrClO3 and a molecular weight of 307.57 g/mol. Its IUPAC name is 2-[3-(3-bromopropyl)-2-chlorophenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[3-(3-bromopropyl)-2-chlorophenyl]-2-hydroxyacetic acid
PubChem CID134656304
Molecular FormulaC11H12BrClO3
Molecular Weight307.57 g/mol
Exact Mass305.97
IUPAC Name2-[3-(3-bromopropyl)-2-chlorophenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cccc(CCCBr)c1Cl
InChIInChI=1S/C11H12BrClO3/c12-6-2-4-7-3-1-5-8(9(7)13)10(14)11(15)16/h1,3,5,10,14H,2,4,6H2,(H,15,16)
InChIKeyDJAHGASRVRJVFH-UHFFFAOYSA-N
XLogP2.79
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.57
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-chloro-3-(3-chloropropyl)phenyl]-2-hydroxyacetic acid
CID 119007903
2-[3-(3-bromopropyl)-2-hydroxyphenyl]-2-hydroxyacetic acid
CID 134657241
2-[3-(3-bromopropyl)-2-sulfanylphenyl]-2-hydroxyacetic acid
CID 134657497
2-[3-(3-bromopropyl)-2-(difluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134656729
2-[2-(3-bromopropyl)-6-(difluoromethyl)phenyl]-2-hydroxyacetic acid
CID 118802729
2-[2-(3-bromopropyl)-6-(chloromethyl)phenyl]-2-hydroxyacetic acid
CID 118814104
2-[2-(bromomethyl)-6-(3-bromopropyl)phenyl]-2-hydroxyacetic acid
CID 134656280
2-[2-chloro-3-(3-ethoxy-3-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 119021094
2-[2-(3-bromopropyl)-5-fluorophenyl]-2-hydroxyacetic acid
CID 118819646
2-[2-(3-bromopropyl)-4-iodophenyl]-2-hydroxyacetic acid
CID 118831019
2-(3-bromopropyl)-6-(difluoromethyl)benzoic acid
CID 118819589
2-[2-(3-bromopropyl)-4-(difluoromethyl)phenyl]-2-hydroxyacetic acid
CID 118808378

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-bromopropyl)-2-chlorophenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[3-(3-bromopropyl)-2-chlorophenyl]-2-hydroxyacetic acid (CID 134656304) is 2-[3-(3-bromopropyl)-2-chlorophenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[3-(3-bromopropyl)-2-chlorophenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[3-(3-bromopropyl)-2-chlorophenyl]-2-hydroxyacetic acid is O=C(O)C(O)c1cccc(CCCBr)c1Cl.
What is the InChIKey of 2-[3-(3-bromopropyl)-2-chlorophenyl]-2-hydroxyacetic acid?
The InChIKey is DJAHGASRVRJVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClO3/c12-6-2-4-7-3-1-5-8(9(7)13)10(14)11(15)16/h1,3,5,10,14H,2,4,6H2,(H,15,16).
What are the key properties of 2-[3-(3-bromopropyl)-2-chlorophenyl]-2-hydroxyacetic acid?
2-[3-(3-bromopropyl)-2-chlorophenyl]-2-hydroxyacetic acid has a molecular weight of 307.57 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-bromopropyl)-2-chlorophenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 134656304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).