4-(5-bromo-4-fluoro-2-methoxyphenyl)pentanoic acid

C12H14BrFO3 — CID 103394271

IUPAC4-(5-bromo-4-fluoro-2-methoxyphenyl)pentanoic acid
SMILESCOc1cc(F)c(Br)cc1C(C)CCC(=O)O
InChIInChI=1S/C12H14BrFO3/c1-7(3-4-12(15)16)8-5-9(13)10(14)6-11(8)17-2/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyKWCNXMUENZPWCE-UHFFFAOYSA-N
MW305.14 g/mol
LogP3.57
Rot. Bonds5

About 4-(5-bromo-4-fluoro-2-methoxyphenyl)pentanoic acid

4-(5-bromo-4-fluoro-2-methoxyphenyl)pentanoic acid (PubChem CID 103394271) has the molecular formula C12H14BrFO3 and a molecular weight of 305.14 g/mol. Its IUPAC name is 4-(5-bromo-4-fluoro-2-methoxyphenyl)pentanoic acid.

Molecular Properties

Compound Name4-(5-bromo-4-fluoro-2-methoxyphenyl)pentanoic acid
PubChem CID103394271
Molecular FormulaC12H14BrFO3
Molecular Weight305.14 g/mol
Exact Mass304.01
IUPAC Name4-(5-bromo-4-fluoro-2-methoxyphenyl)pentanoic acid
SMILESCOc1cc(F)c(Br)cc1C(C)CCC(=O)O
InChIInChI=1S/C12H14BrFO3/c1-7(3-4-12(15)16)8-5-9(13)10(14)6-11(8)17-2/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyKWCNXMUENZPWCE-UHFFFAOYSA-N
XLogP3.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.14
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-5-(5-bromo-4-fluoro-2-methoxyphenyl)pentanoic acid
CID 103394885
4-amino-4-(4-fluoro-2,5-dimethoxyphenyl)butanoic acid
CID 117395965
4-(4-bromo-5-chloro-2-fluorophenyl)pentanoic acid
CID 105398437
1-(5-bromo-4-fluoro-2-methoxyphenyl)pentan-1-amine
CID 103394326
5-(5-fluoro-2-methoxyphenyl)hexanoic acid
CID 112512385
1-(5-bromo-4-fluoro-2-methoxyphenyl)nonan-1-amine
CID 103394461
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 103394303
1-bromo-5-(1-bromo-2-ethylbutyl)-2-fluoro-4-methoxybenzene
CID 103396544
1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine
CID 103394558
4-amino-4-(2,4,5-trimethoxyphenyl)butanoic acid
CID 115005610
(5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanol
CID 103396069
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-methylhexan-1-one
CID 114246172

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-4-fluoro-2-methoxyphenyl)pentanoic acid?
The IUPAC name of 4-(5-bromo-4-fluoro-2-methoxyphenyl)pentanoic acid (CID 103394271) is 4-(5-bromo-4-fluoro-2-methoxyphenyl)pentanoic acid.
What is the SMILES notation for 4-(5-bromo-4-fluoro-2-methoxyphenyl)pentanoic acid?
The canonical SMILES for 4-(5-bromo-4-fluoro-2-methoxyphenyl)pentanoic acid is COc1cc(F)c(Br)cc1C(C)CCC(=O)O.
What is the InChIKey of 4-(5-bromo-4-fluoro-2-methoxyphenyl)pentanoic acid?
The InChIKey is KWCNXMUENZPWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO3/c1-7(3-4-12(15)16)8-5-9(13)10(14)6-11(8)17-2/h5-7H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 4-(5-bromo-4-fluoro-2-methoxyphenyl)pentanoic acid?
4-(5-bromo-4-fluoro-2-methoxyphenyl)pentanoic acid has a molecular weight of 305.14 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-4-fluoro-2-methoxyphenyl)pentanoic acid is sourced from PubChem (CID 103394271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).