3-(3-chloro-4-methoxyphenyl)-2-fluoro-3-hydroxypropanoic acid

C10H10ClFO4 — CID 79366359

IUPAC3-(3-chloro-4-methoxyphenyl)-2-fluoro-3-hydroxypropanoic acid
SMILESCOc1ccc(C(O)C(F)C(=O)O)cc1Cl
InChIInChI=1S/C10H10ClFO4/c1-16-7-3-2-5(4-6(7)11)9(13)8(12)10(14)15/h2-4,8-9,13H,1H3,(H,14,15)
InChIKeyNTVQXAKJTLZDNA-UHFFFAOYSA-N
MW248.64 g/mol
LogP1.80
Rot. Bonds4

About 3-(3-chloro-4-methoxyphenyl)-2-fluoro-3-hydroxypropanoic acid

3-(3-chloro-4-methoxyphenyl)-2-fluoro-3-hydroxypropanoic acid (PubChem CID 79366359) has the molecular formula C10H10ClFO4 and a molecular weight of 248.64 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)-2-fluoro-3-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)-2-fluoro-3-hydroxypropanoic acid
PubChem CID79366359
Molecular FormulaC10H10ClFO4
Molecular Weight248.64 g/mol
Exact Mass248.03
IUPAC Name3-(3-chloro-4-methoxyphenyl)-2-fluoro-3-hydroxypropanoic acid
SMILESCOc1ccc(C(O)C(F)C(=O)O)cc1Cl
InChIInChI=1S/C10H10ClFO4/c1-16-7-3-2-5(4-6(7)11)9(13)8(12)10(14)15/h2-4,8-9,13H,1H3,(H,14,15)
InChIKeyNTVQXAKJTLZDNA-UHFFFAOYSA-N
XLogP1.80
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.64
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)-2-fluoro-3-hydroxypropanoic acid?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)-2-fluoro-3-hydroxypropanoic acid (CID 79366359) is 3-(3-chloro-4-methoxyphenyl)-2-fluoro-3-hydroxypropanoic acid.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)-2-fluoro-3-hydroxypropanoic acid?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)-2-fluoro-3-hydroxypropanoic acid is COc1ccc(C(O)C(F)C(=O)O)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)-2-fluoro-3-hydroxypropanoic acid?
The InChIKey is NTVQXAKJTLZDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO4/c1-16-7-3-2-5(4-6(7)11)9(13)8(12)10(14)15/h2-4,8-9,13H,1H3,(H,14,15).
What are the key properties of 3-(3-chloro-4-methoxyphenyl)-2-fluoro-3-hydroxypropanoic acid?
3-(3-chloro-4-methoxyphenyl)-2-fluoro-3-hydroxypropanoic acid has a molecular weight of 248.64 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)-2-fluoro-3-hydroxypropanoic acid is sourced from PubChem (CID 79366359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).