3-(3-bromo-4-cyclopentylphenyl)propanoic acid

C14H17BrO2 — CID 117478585

IUPAC3-(3-bromo-4-cyclopentylphenyl)propanoic acid
SMILESO=C(O)CCc1ccc(C2CCCC2)c(Br)c1
InChIInChI=1S/C14H17BrO2/c15-13-9-10(6-8-14(16)17)5-7-12(13)11-3-1-2-4-11/h5,7,9,11H,1-4,6,8H2,(H,16,17)
InChIKeyJKEZJMPCRGFXBN-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.12
Rot. Bonds4

About 3-(3-bromo-4-cyclopentylphenyl)propanoic acid

3-(3-bromo-4-cyclopentylphenyl)propanoic acid (PubChem CID 117478585) has the molecular formula C14H17BrO2 and a molecular weight of 297.19 g/mol. Its IUPAC name is 3-(3-bromo-4-cyclopentylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(3-bromo-4-cyclopentylphenyl)propanoic acid
PubChem CID117478585
Molecular FormulaC14H17BrO2
Molecular Weight297.19 g/mol
Exact Mass296.04
IUPAC Name3-(3-bromo-4-cyclopentylphenyl)propanoic acid
SMILESO=C(O)CCc1ccc(C2CCCC2)c(Br)c1
InChIInChI=1S/C14H17BrO2/c15-13-9-10(6-8-14(16)17)5-7-12(13)11-3-1-2-4-11/h5,7,9,11H,1-4,6,8H2,(H,16,17)
InChIKeyJKEZJMPCRGFXBN-UHFFFAOYSA-N
XLogP4.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3-bromo-4-(oxolan-3-yl)phenyl]propanoic acid
CID 117481669
3-(3-cyclopentylphenyl)propanoic acid
CID 83836630
3-[3-bromo-4-(fluoromethyl)phenyl]propanoic acid
CID 84710394
4-(3-cyclopentylphenyl)butanoic acid
CID 117336755
3-[4-bromo-3-(hydroxymethyl)phenyl]propanoic acid
CID 134622122
1-(3-bromo-4-cyclohexylphenyl)-N-methoxymethanamine
CID 117480345
3-(2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 12646159
1-[3-bromo-4-(1-methylpiperidin-4-yl)phenyl]propan-2-one
CID 117495014
3-[(4R)-4-amino-3,4-dihydro-2H-chromen-6-yl]propanoic acid
CID 165354380
3-(4-piperidin-3-ylphenyl)propanoic acid
CID 116988287
3-[3-bromo-4-(trifluoromethylsulfanyl)phenyl]propanoic acid
CID 134621767
(3-bromo-4-cyclopropylphenyl)methanesulfonyl chloride
CID 117494295

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-cyclopentylphenyl)propanoic acid?
The IUPAC name of 3-(3-bromo-4-cyclopentylphenyl)propanoic acid (CID 117478585) is 3-(3-bromo-4-cyclopentylphenyl)propanoic acid.
What is the SMILES notation for 3-(3-bromo-4-cyclopentylphenyl)propanoic acid?
The canonical SMILES for 3-(3-bromo-4-cyclopentylphenyl)propanoic acid is O=C(O)CCc1ccc(C2CCCC2)c(Br)c1.
What is the InChIKey of 3-(3-bromo-4-cyclopentylphenyl)propanoic acid?
The InChIKey is JKEZJMPCRGFXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO2/c15-13-9-10(6-8-14(16)17)5-7-12(13)11-3-1-2-4-11/h5,7,9,11H,1-4,6,8H2,(H,16,17).
What are the key properties of 3-(3-bromo-4-cyclopentylphenyl)propanoic acid?
3-(3-bromo-4-cyclopentylphenyl)propanoic acid has a molecular weight of 297.19 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-cyclopentylphenyl)propanoic acid is sourced from PubChem (CID 117478585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).