2-(3,5-dichlorophenyl)-2-(3-hydroxypropoxy)acetic acid

C11H12Cl2O4 — CID 83224723

IUPAC2-(3,5-dichlorophenyl)-2-(3-hydroxypropoxy)acetic acid
SMILESO=C(O)C(OCCCO)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H12Cl2O4/c12-8-4-7(5-9(13)6-8)10(11(15)16)17-3-1-2-14/h4-6,10,14H,1-3H2,(H,15,16)
InChIKeyNDDAGGIWRQLBLI-UHFFFAOYSA-N
MW279.12 g/mol
LogP2.52
Rot. Bonds6

About 2-(3,5-dichlorophenyl)-2-(3-hydroxypropoxy)acetic acid

2-(3,5-dichlorophenyl)-2-(3-hydroxypropoxy)acetic acid (PubChem CID 83224723) has the molecular formula C11H12Cl2O4 and a molecular weight of 279.12 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-2-(3-hydroxypropoxy)acetic acid.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-2-(3-hydroxypropoxy)acetic acid
PubChem CID83224723
Molecular FormulaC11H12Cl2O4
Molecular Weight279.12 g/mol
Exact Mass278.01
IUPAC Name2-(3,5-dichlorophenyl)-2-(3-hydroxypropoxy)acetic acid
SMILESO=C(O)C(OCCCO)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H12Cl2O4/c12-8-4-7(5-9(13)6-8)10(11(15)16)17-3-1-2-14/h4-6,10,14H,1-3H2,(H,15,16)
InChIKeyNDDAGGIWRQLBLI-UHFFFAOYSA-N
XLogP2.52
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.12
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3,5-dichlorophenyl)-2-(3-hydroxypropoxy)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chloro-4-fluorophenyl)-2-(3-hydroxypropoxy)acetic acid
CID 83224161
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(3-hydroxypropoxy)acetic acid
CID 103378041
2-(3-hydroxypropoxy)-2-(4-phenylphenyl)acetic acid
CID 103378054
2-(4-ethylphenyl)-2-(3-hydroxypropoxy)acetic acid
CID 83223895
2-(3-hydroxypropoxy)-2-(2,4,5-trimethylphenyl)acetic acid
CID 114078427
2-(3-fluoro-4-methoxyphenyl)-2-(3-hydroxypropoxy)acetic acid
CID 83224437
2-(3-hydroxypropoxy)-2-(3-propoxyphenyl)acetic acid
CID 103377987
2-(2-chloroethoxy)-2-(4-chlorophenyl)acetic acid
CID 83223627
2-(2,6-dimethylphenyl)-2-(3-hydroxypropoxy)acetic acid
CID 83224254
2-(2-chloroethoxy)-2-(3,4,5-trifluorophenyl)acetic acid
CID 67067400
2-(2-hydroxyethoxy)-2-(4-methylphenyl)acetic acid
CID 83224145
2-(3,5-dichlorophenyl)-2-(diethylamino)acetic acid
CID 54919956

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-2-(3-hydroxypropoxy)acetic acid?
The IUPAC name of 2-(3,5-dichlorophenyl)-2-(3-hydroxypropoxy)acetic acid (CID 83224723) is 2-(3,5-dichlorophenyl)-2-(3-hydroxypropoxy)acetic acid.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-2-(3-hydroxypropoxy)acetic acid?
The canonical SMILES for 2-(3,5-dichlorophenyl)-2-(3-hydroxypropoxy)acetic acid is O=C(O)C(OCCCO)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-2-(3-hydroxypropoxy)acetic acid?
The InChIKey is NDDAGGIWRQLBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O4/c12-8-4-7(5-9(13)6-8)10(11(15)16)17-3-1-2-14/h4-6,10,14H,1-3H2,(H,15,16).
What are the key properties of 2-(3,5-dichlorophenyl)-2-(3-hydroxypropoxy)acetic acid?
2-(3,5-dichlorophenyl)-2-(3-hydroxypropoxy)acetic acid has a molecular weight of 279.12 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-2-(3-hydroxypropoxy)acetic acid is sourced from PubChem (CID 83224723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).