4-fluoro-3-(2-hydroxyethoxymethyl)benzoic acid

C10H11FO4 — CID 63072945

IUPAC4-fluoro-3-(2-hydroxyethoxymethyl)benzoic acid
SMILESO=C(O)c1ccc(F)c(COCCO)c1
InChIInChI=1S/C10H11FO4/c11-9-2-1-7(10(13)14)5-8(9)6-15-4-3-12/h1-2,5,12H,3-4,6H2,(H,13,14)
InChIKeyODTCXFMJUQGVLY-UHFFFAOYSA-N
MW214.19 g/mol
LogP1.03
Rot. Bonds5

About 4-fluoro-3-(2-hydroxyethoxymethyl)benzoic acid

4-fluoro-3-(2-hydroxyethoxymethyl)benzoic acid (PubChem CID 63072945) has the molecular formula C10H11FO4 and a molecular weight of 214.19 g/mol. Its IUPAC name is 4-fluoro-3-(2-hydroxyethoxymethyl)benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-(2-hydroxyethoxymethyl)benzoic acid
PubChem CID63072945
Molecular FormulaC10H11FO4
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Name4-fluoro-3-(2-hydroxyethoxymethyl)benzoic acid
SMILESO=C(O)c1ccc(F)c(COCCO)c1
InChIInChI=1S/C10H11FO4/c11-9-2-1-7(10(13)14)5-8(9)6-15-4-3-12/h1-2,5,12H,3-4,6H2,(H,13,14)
InChIKeyODTCXFMJUQGVLY-UHFFFAOYSA-N
XLogP1.03
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 51.03
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

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3-[(3,5-difluorophenoxy)methyl]-4-fluorobenzoic acid
CID 63073644
4-fluoro-3-(3,3,3-trifluoropropoxymethyl)benzohydrazide
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4-fluoro-3-propylbenzoic acid
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4-fluoro-3-(heptoxymethyl)benzohydrazide
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3-[(4-bromo-3-fluorophenoxy)methyl]-4-fluorobenzoic acid
CID 65202713
4-(3-hydroxypropoxymethyl)-3-methylbenzoic acid
CID 114485742
3-chloro-4-(3-hydroxypropoxymethyl)benzoic acid
CID 102670177
4-fluoro-3-(2-methylpropyl)benzoic acid
CID 107957211
3-[(4-chloro-2-methylphenoxy)methyl]-4-fluorobenzoic acid
CID 63531486
4-fluoro-3-[(4-propan-2-ylphenoxy)methyl]benzoic acid
CID 63530478

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(2-hydroxyethoxymethyl)benzoic acid?
The IUPAC name of 4-fluoro-3-(2-hydroxyethoxymethyl)benzoic acid (CID 63072945) is 4-fluoro-3-(2-hydroxyethoxymethyl)benzoic acid.
What is the SMILES notation for 4-fluoro-3-(2-hydroxyethoxymethyl)benzoic acid?
The canonical SMILES for 4-fluoro-3-(2-hydroxyethoxymethyl)benzoic acid is O=C(O)c1ccc(F)c(COCCO)c1.
What is the InChIKey of 4-fluoro-3-(2-hydroxyethoxymethyl)benzoic acid?
The InChIKey is ODTCXFMJUQGVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO4/c11-9-2-1-7(10(13)14)5-8(9)6-15-4-3-12/h1-2,5,12H,3-4,6H2,(H,13,14).
What are the key properties of 4-fluoro-3-(2-hydroxyethoxymethyl)benzoic acid?
4-fluoro-3-(2-hydroxyethoxymethyl)benzoic acid has a molecular weight of 214.19 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(2-hydroxyethoxymethyl)benzoic acid is sourced from PubChem (CID 63072945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).