2-(3-chloro-4-fluorophenyl)-2-(3-hydroxypropoxy)acetic acid

C11H12ClFO4 — CID 83224161

IUPAC2-(3-chloro-4-fluorophenyl)-2-(3-hydroxypropoxy)acetic acid
SMILESO=C(O)C(OCCCO)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H12ClFO4/c12-8-6-7(2-3-9(8)13)10(11(15)16)17-5-1-4-14/h2-3,6,10,14H,1,4-5H2,(H,15,16)
InChIKeyUBDMWDUBWGLSCP-UHFFFAOYSA-N
MW262.66 g/mol
LogP2.00
Rot. Bonds6

About 2-(3-chloro-4-fluorophenyl)-2-(3-hydroxypropoxy)acetic acid

2-(3-chloro-4-fluorophenyl)-2-(3-hydroxypropoxy)acetic acid (PubChem CID 83224161) has the molecular formula C11H12ClFO4 and a molecular weight of 262.66 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-2-(3-hydroxypropoxy)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-2-(3-hydroxypropoxy)acetic acid
PubChem CID83224161
Molecular FormulaC11H12ClFO4
Molecular Weight262.66 g/mol
Exact Mass262.04
IUPAC Name2-(3-chloro-4-fluorophenyl)-2-(3-hydroxypropoxy)acetic acid
SMILESO=C(O)C(OCCCO)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H12ClFO4/c12-8-6-7(2-3-9(8)13)10(11(15)16)17-5-1-4-14/h2-3,6,10,14H,1,4-5H2,(H,15,16)
InChIKeyUBDMWDUBWGLSCP-UHFFFAOYSA-N
XLogP2.00
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.66
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-4-fluorophenyl)-2-ethoxyacetic acid
CID 83224808
2-(3,5-dichlorophenyl)-2-(3-hydroxypropoxy)acetic acid
CID 83224723
2-(3-fluoro-4-methoxyphenyl)-2-(3-hydroxypropoxy)acetic acid
CID 83224437
2-(3-hydroxypropoxy)-2-(4-phenylphenyl)acetic acid
CID 103378054
2-(4-ethylphenyl)-2-(3-hydroxypropoxy)acetic acid
CID 83223895
2-(2-chloroethoxy)-2-(4-chlorophenyl)acetic acid
CID 83223627
(4S)-4-amino-4-(3-chloro-4-fluorophenyl)butan-1-ol
CID 171220953
2-(3-chloro-4-fluorophenyl)-2-(diethylamino)acetic acid
CID 81154831
2-(3-hydroxypropoxy)-2-(3-propoxyphenyl)acetic acid
CID 103377987
2-(4-bromo-3-fluorophenyl)-2-propoxyacetic acid
CID 83224609
2-(2-chloroethoxy)-2-(3,4,5-trifluorophenyl)acetic acid
CID 67067400
2-(3-hydroxypropoxy)-2-(2,4,5-trimethylphenyl)acetic acid
CID 114078427

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-(3-hydroxypropoxy)acetic acid?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-(3-hydroxypropoxy)acetic acid (CID 83224161) is 2-(3-chloro-4-fluorophenyl)-2-(3-hydroxypropoxy)acetic acid.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-2-(3-hydroxypropoxy)acetic acid?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-2-(3-hydroxypropoxy)acetic acid is O=C(O)C(OCCCO)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-2-(3-hydroxypropoxy)acetic acid?
The InChIKey is UBDMWDUBWGLSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO4/c12-8-6-7(2-3-9(8)13)10(11(15)16)17-5-1-4-14/h2-3,6,10,14H,1,4-5H2,(H,15,16).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-2-(3-hydroxypropoxy)acetic acid?
2-(3-chloro-4-fluorophenyl)-2-(3-hydroxypropoxy)acetic acid has a molecular weight of 262.66 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-2-(3-hydroxypropoxy)acetic acid is sourced from PubChem (CID 83224161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).