3-(2-bromophenyl)-2-(2-hydroxycyclopentyl)propanoic acid

C14H17BrO3 — CID 79418176

IUPAC3-(2-bromophenyl)-2-(2-hydroxycyclopentyl)propanoic acid
SMILESO=C(O)C(Cc1ccccc1Br)C1CCCC1O
InChIInChI=1S/C14H17BrO3/c15-12-6-2-1-4-9(12)8-11(14(17)18)10-5-3-7-13(10)16/h1-2,4,6,10-11,13,16H,3,5,7-8H2,(H,17,18)
InChIKeyLNZPLDJZKFRUMV-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.85
Rot. Bonds4

About 3-(2-bromophenyl)-2-(2-hydroxycyclopentyl)propanoic acid

3-(2-bromophenyl)-2-(2-hydroxycyclopentyl)propanoic acid (PubChem CID 79418176) has the molecular formula C14H17BrO3 and a molecular weight of 313.19 g/mol. Its IUPAC name is 3-(2-bromophenyl)-2-(2-hydroxycyclopentyl)propanoic acid.

Molecular Properties

Compound Name3-(2-bromophenyl)-2-(2-hydroxycyclopentyl)propanoic acid
PubChem CID79418176
Molecular FormulaC14H17BrO3
Molecular Weight313.19 g/mol
Exact Mass312.04
IUPAC Name3-(2-bromophenyl)-2-(2-hydroxycyclopentyl)propanoic acid
SMILESO=C(O)C(Cc1ccccc1Br)C1CCCC1O
InChIInChI=1S/C14H17BrO3/c15-12-6-2-1-4-9(12)8-11(14(17)18)10-5-3-7-13(10)16/h1-2,4,6,10-11,13,16H,3,5,7-8H2,(H,17,18)
InChIKeyLNZPLDJZKFRUMV-UHFFFAOYSA-N
XLogP2.85
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromophenyl)-2-(2-hydroxycycloheptyl)propanoic acid
CID 79418747
3-(2-fluorophenyl)-2-(2-hydroxycyclopentyl)propanoic acid
CID 79417998
3-(2-bromophenyl)-2-(oxan-4-yl)propanoic acid
CID 79418749
3-(2-bromophenyl)-2-(3-ethylcyclohexyl)propanoic acid
CID 79418826
(2R)-2-amino-3-(2-bromophenyl)propanoic acid
CID 7023575
(2S)-2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride
CID 51358157
3-(4-chlorophenyl)-2-(2-hydroxycycloheptyl)propanoic acid
CID 79418786
3-(2-bromo-4-fluorophenyl)-2-cyclopentylpropanoic acid
CID 112569192
2-[(2-bromophenyl)methyl]-4-methylpentanoic acid;hydrochloride
CID 67084816
2-(2-bromophenyl)-1-(3-methylcyclohexyl)ethanol
CID 55187545
2-amino-3-(2-bromophenyl)propanamide
CID 15926062
4-amino-2-(2-hydroxycyclohexyl)butanoic acid
CID 104680966

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-2-(2-hydroxycyclopentyl)propanoic acid?
The IUPAC name of 3-(2-bromophenyl)-2-(2-hydroxycyclopentyl)propanoic acid (CID 79418176) is 3-(2-bromophenyl)-2-(2-hydroxycyclopentyl)propanoic acid.
What is the SMILES notation for 3-(2-bromophenyl)-2-(2-hydroxycyclopentyl)propanoic acid?
The canonical SMILES for 3-(2-bromophenyl)-2-(2-hydroxycyclopentyl)propanoic acid is O=C(O)C(Cc1ccccc1Br)C1CCCC1O.
What is the InChIKey of 3-(2-bromophenyl)-2-(2-hydroxycyclopentyl)propanoic acid?
The InChIKey is LNZPLDJZKFRUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO3/c15-12-6-2-1-4-9(12)8-11(14(17)18)10-5-3-7-13(10)16/h1-2,4,6,10-11,13,16H,3,5,7-8H2,(H,17,18).
What are the key properties of 3-(2-bromophenyl)-2-(2-hydroxycyclopentyl)propanoic acid?
3-(2-bromophenyl)-2-(2-hydroxycyclopentyl)propanoic acid has a molecular weight of 313.19 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-2-(2-hydroxycyclopentyl)propanoic acid is sourced from PubChem (CID 79418176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).