4-(3-bromophenoxy)-2-cyclopentylbutanoic acid

C15H19BrO3 — CID 112569165

IUPAC4-(3-bromophenoxy)-2-cyclopentylbutanoic acid
SMILESO=C(O)C(CCOc1cccc(Br)c1)C1CCCC1
InChIInChI=1S/C15H19BrO3/c16-12-6-3-7-13(10-12)19-9-8-14(15(17)18)11-4-1-2-5-11/h3,6-7,10-11,14H,1-2,4-5,8-9H2,(H,17,18)
InChIKeyIPBZSXPAFYKNDK-UHFFFAOYSA-N
MW327.22 g/mol
LogP4.11
Rot. Bonds6

About 4-(3-bromophenoxy)-2-cyclopentylbutanoic acid

4-(3-bromophenoxy)-2-cyclopentylbutanoic acid (PubChem CID 112569165) has the molecular formula C15H19BrO3 and a molecular weight of 327.22 g/mol. Its IUPAC name is 4-(3-bromophenoxy)-2-cyclopentylbutanoic acid.

Molecular Properties

Compound Name4-(3-bromophenoxy)-2-cyclopentylbutanoic acid
PubChem CID112569165
Molecular FormulaC15H19BrO3
Molecular Weight327.22 g/mol
Exact Mass326.05
IUPAC Name4-(3-bromophenoxy)-2-cyclopentylbutanoic acid
SMILESO=C(O)C(CCOc1cccc(Br)c1)C1CCCC1
InChIInChI=1S/C15H19BrO3/c16-12-6-3-7-13(10-12)19-9-8-14(15(17)18)11-4-1-2-5-11/h3,6-7,10-11,14H,1-2,4-5,8-9H2,(H,17,18)
InChIKeyIPBZSXPAFYKNDK-UHFFFAOYSA-N
XLogP4.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-3-(4-chloro-3-cyclopentylbutoxy)benzene
CID 112570401
2-[2-(3-bromophenoxy)ethyl-cyclopentylamino]acetic acid
CID 60834612
2-cyclohexyl-3-(3-methylphenoxy)propanoic acid
CID 117246044
2-cyclobutyl-3-(3-methylphenoxy)propanoic acid
CID 117245719
4-(3-bromophenoxy)-2-(4-chlorophenyl)butanoic acid
CID 79430529
1-(3-bromophenoxy)-3-cyclopentylpropan-2-ol
CID 103160598
1-bromo-3-(1-cyclohexylethoxy)benzene
CID 126754548
[(1S)-1-(3-bromophenoxy)ethyl]cycloheptane
CID 126753998
4-(3-bromophenoxy)-2-methyl-1-phenylbutan-1-one
CID 104845024
4-[2-(3-bromophenoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 60809216
1-[2-(3-bromophenoxy)ethyl]piperidine-3-carboxylic acid
CID 43440742
1-[2-(3-bromophenoxy)ethyl]azepane-2-carboxylic acid
CID 64561789

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenoxy)-2-cyclopentylbutanoic acid?
The IUPAC name of 4-(3-bromophenoxy)-2-cyclopentylbutanoic acid (CID 112569165) is 4-(3-bromophenoxy)-2-cyclopentylbutanoic acid.
What is the SMILES notation for 4-(3-bromophenoxy)-2-cyclopentylbutanoic acid?
The canonical SMILES for 4-(3-bromophenoxy)-2-cyclopentylbutanoic acid is O=C(O)C(CCOc1cccc(Br)c1)C1CCCC1.
What is the InChIKey of 4-(3-bromophenoxy)-2-cyclopentylbutanoic acid?
The InChIKey is IPBZSXPAFYKNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO3/c16-12-6-3-7-13(10-12)19-9-8-14(15(17)18)11-4-1-2-5-11/h3,6-7,10-11,14H,1-2,4-5,8-9H2,(H,17,18).
What are the key properties of 4-(3-bromophenoxy)-2-cyclopentylbutanoic acid?
4-(3-bromophenoxy)-2-cyclopentylbutanoic acid has a molecular weight of 327.22 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenoxy)-2-cyclopentylbutanoic acid is sourced from PubChem (CID 112569165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).