2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-fluoropropanoic acid

C10H10ClFO4 — CID 105426079

IUPAC2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-fluoropropanoic acid
SMILESCOc1cc(Cl)c(C(C)(F)C(=O)O)cc1O
InChIInChI=1S/C10H10ClFO4/c1-10(12,9(14)15)5-3-7(13)8(16-2)4-6(5)11/h3-4,13H,1-2H3,(H,14,15)
InChIKeyAEGPOTNBHCYZKV-UHFFFAOYSA-N
MW248.64 g/mol
LogP2.32
Rot. Bonds3

About 2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-fluoropropanoic acid

2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-fluoropropanoic acid (PubChem CID 105426079) has the molecular formula C10H10ClFO4 and a molecular weight of 248.64 g/mol. Its IUPAC name is 2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-fluoropropanoic acid.

Molecular Properties

Compound Name2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-fluoropropanoic acid
PubChem CID105426079
Molecular FormulaC10H10ClFO4
Molecular Weight248.64 g/mol
Exact Mass248.03
IUPAC Name2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-fluoropropanoic acid
SMILESCOc1cc(Cl)c(C(C)(F)C(=O)O)cc1O
InChIInChI=1S/C10H10ClFO4/c1-10(12,9(14)15)5-3-7(13)8(16-2)4-6(5)11/h3-4,13H,1-2H3,(H,14,15)
InChIKeyAEGPOTNBHCYZKV-UHFFFAOYSA-N
XLogP2.32
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.64
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-hydroxy-4-methoxy-2-methylphenyl)-2-methylpropanoic acid
CID 105423410
2-methoxy-4,5-bis(trifluoromethyl)phenol
CID 118852194
2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-oxoacetic acid
CID 117333135
2-(6-chloro-1,3-benzodioxol-5-yl)-2-fluoropropanoic acid
CID 105424271
2-(3-chloro-4-hydroxyphenyl)-2-fluoropropanoic acid
CID 105424799
2-(2-chloro-4,5-dimethoxyphenyl)propan-2-ol
CID 84694057
1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 105425975
2-chloro-1-[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]ethanone
CID 171028463
2-(2,5-dichloro-4-methoxyphenyl)propan-2-ol
CID 84698274
2-(4-chloro-3-methoxyphenyl)-2,2-difluoroacetic acid
CID 79712096
5-chloro-2-methoxy-4-(trifluoromethyl)benzamide
CID 171007477
2-tert-butyl-5-chloro-4-methoxyphenol
CID 134599266

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-fluoropropanoic acid?
The IUPAC name of 2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-fluoropropanoic acid (CID 105426079) is 2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-fluoropropanoic acid.
What is the SMILES notation for 2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-fluoropropanoic acid?
The canonical SMILES for 2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-fluoropropanoic acid is COc1cc(Cl)c(C(C)(F)C(=O)O)cc1O.
What is the InChIKey of 2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-fluoropropanoic acid?
The InChIKey is AEGPOTNBHCYZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO4/c1-10(12,9(14)15)5-3-7(13)8(16-2)4-6(5)11/h3-4,13H,1-2H3,(H,14,15).
What are the key properties of 2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-fluoropropanoic acid?
2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-fluoropropanoic acid has a molecular weight of 248.64 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-fluoropropanoic acid is sourced from PubChem (CID 105426079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).