3-fluoro-2-hydroxy-5-(3-hydroxypropyl)benzoic acid

C10H11FO4 — CID 117304986

IUPAC3-fluoro-2-hydroxy-5-(3-hydroxypropyl)benzoic acid
SMILESO=C(O)c1cc(CCCO)cc(F)c1O
InChIInChI=1S/C10H11FO4/c11-8-5-6(2-1-3-12)4-7(9(8)13)10(14)15/h4-5,12-13H,1-3H2,(H,14,15)
InChIKeyDQVRFHXGVJCUAM-UHFFFAOYSA-N
MW214.19 g/mol
LogP1.15
Rot. Bonds4

About 3-fluoro-2-hydroxy-5-(3-hydroxypropyl)benzoic acid

3-fluoro-2-hydroxy-5-(3-hydroxypropyl)benzoic acid (PubChem CID 117304986) has the molecular formula C10H11FO4 and a molecular weight of 214.19 g/mol. Its IUPAC name is 3-fluoro-2-hydroxy-5-(3-hydroxypropyl)benzoic acid.

Molecular Properties

Compound Name3-fluoro-2-hydroxy-5-(3-hydroxypropyl)benzoic acid
PubChem CID117304986
Molecular FormulaC10H11FO4
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Name3-fluoro-2-hydroxy-5-(3-hydroxypropyl)benzoic acid
SMILESO=C(O)c1cc(CCCO)cc(F)c1O
InChIInChI=1S/C10H11FO4/c11-8-5-6(2-1-3-12)4-7(9(8)13)10(14)15/h4-5,12-13H,1-3H2,(H,14,15)
InChIKeyDQVRFHXGVJCUAM-UHFFFAOYSA-N
XLogP1.15
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-aminooxyethyl)-3-fluoro-2-hydroxybenzoic acid
CID 117306196
4-(3,5-difluoro-4-hydroxyphenyl)butanoic acid
CID 117307682
8-(3,5-difluoro-4-hydroxyphenyl)octanoic acid
CID 70316080
3-(4-chloro-3,5-difluorophenyl)propan-1-ol
CID 66733620
2-fluoro-5-(2-hydroxyethyl)benzoic acid
CID 2774487
5-hept-6-ynyl-2,3-dihydroxybenzoic acid
CID 151953469
3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
CID 117302752
3-fluoro-2-hydroxy-5-(pyrrolidin-2-ylmethyl)benzoic acid
CID 117350354
5-(3-carboxypropyl)-3-fluoro-2-methoxybenzoic acid
CID 117393487
1,5-bis(3,5-difluoro-4-hydroxyphenyl)pentan-3-one
CID 141151688
6-(3,4,5-trifluorophenyl)hexan-1-ol
CID 174855228
3-(3-fluoro-4,5-dihydroxyphenyl)propanoic acid
CID 117289030

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydroxy-5-(3-hydroxypropyl)benzoic acid?
The IUPAC name of 3-fluoro-2-hydroxy-5-(3-hydroxypropyl)benzoic acid (CID 117304986) is 3-fluoro-2-hydroxy-5-(3-hydroxypropyl)benzoic acid.
What is the SMILES notation for 3-fluoro-2-hydroxy-5-(3-hydroxypropyl)benzoic acid?
The canonical SMILES for 3-fluoro-2-hydroxy-5-(3-hydroxypropyl)benzoic acid is O=C(O)c1cc(CCCO)cc(F)c1O.
What is the InChIKey of 3-fluoro-2-hydroxy-5-(3-hydroxypropyl)benzoic acid?
The InChIKey is DQVRFHXGVJCUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO4/c11-8-5-6(2-1-3-12)4-7(9(8)13)10(14)15/h4-5,12-13H,1-3H2,(H,14,15).
What are the key properties of 3-fluoro-2-hydroxy-5-(3-hydroxypropyl)benzoic acid?
3-fluoro-2-hydroxy-5-(3-hydroxypropyl)benzoic acid has a molecular weight of 214.19 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydroxy-5-(3-hydroxypropyl)benzoic acid is sourced from PubChem (CID 117304986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).