2-[1-[2-(4-bromo-5-chloro-2-fluorophenyl)-2-hydroxyethyl]cyclopentyl]acetic acid

C15H17BrClFO3 — CID 105399247

IUPAC2-[1-[2-(4-bromo-5-chloro-2-fluorophenyl)-2-hydroxyethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(O)c2cc(Cl)c(Br)cc2F)CCCC1
InChIInChI=1S/C15H17BrClFO3/c16-10-6-12(18)9(5-11(10)17)13(19)7-15(8-14(20)21)3-1-2-4-15/h5-6,13,19H,1-4,7-8H2,(H,20,21)
InChIKeyCDGHCZCZRGPEBB-UHFFFAOYSA-N
MW379.65 g/mol
LogP4.70
Rot. Bonds5

About 2-[1-[2-(4-bromo-5-chloro-2-fluorophenyl)-2-hydroxyethyl]cyclopentyl]acetic acid

2-[1-[2-(4-bromo-5-chloro-2-fluorophenyl)-2-hydroxyethyl]cyclopentyl]acetic acid (PubChem CID 105399247) has the molecular formula C15H17BrClFO3 and a molecular weight of 379.65 g/mol. Its IUPAC name is 2-[1-[2-(4-bromo-5-chloro-2-fluorophenyl)-2-hydroxyethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(4-bromo-5-chloro-2-fluorophenyl)-2-hydroxyethyl]cyclopentyl]acetic acid
PubChem CID105399247
Molecular FormulaC15H17BrClFO3
Molecular Weight379.65 g/mol
Exact Mass378.00
IUPAC Name2-[1-[2-(4-bromo-5-chloro-2-fluorophenyl)-2-hydroxyethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(O)c2cc(Cl)c(Br)cc2F)CCCC1
InChIInChI=1S/C15H17BrClFO3/c16-10-6-12(18)9(5-11(10)17)13(19)7-15(8-14(20)21)3-1-2-4-15/h5-6,13,19H,1-4,7-8H2,(H,20,21)
InChIKeyCDGHCZCZRGPEBB-UHFFFAOYSA-N
XLogP4.70
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.65
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-[1-[2-(4-bromo-5-chloro-2-fluorophenyl)-2-hydroxyethyl]cyclopentyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]cyclohexyl]acetic acid
CID 61270248
2-[1-[2-(4-bromo-5-methylthiophen-2-yl)-2-hydroxyethyl]cyclopentyl]acetic acid
CID 102828999
2-[1-[2-(3,4-dibromothiophen-2-yl)-2-hydroxyethyl]cyclohexyl]acetic acid
CID 79601307
2-[(4-bromo-5-chloro-2-fluorophenyl)-hydroxymethyl]cyclopentane-1-carboxylic acid
CID 105399251
1-(4-bromo-5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethanol
CID 105399377
4-(4-bromo-5-chloro-2-fluorophenyl)pentanoic acid
CID 105398437
2-[1-[2-(5-bromo-4-methylthiophen-2-yl)-2-hydroxyethyl]cyclohexyl]acetic acid
CID 79992425
2-[1-[2-hydroxy-2-(4-iodophenyl)ethyl]cyclopentyl]acetic acid
CID 61069302
(4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclohexyl)methanol
CID 107181881
2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 80530829
2-[1-[2-oxo-2-(2,4,6-trichlorophenyl)ethyl]cyclopentyl]acetic acid
CID 105349518
2-[1-[2-(2,4-dichlorophenyl)-2-oxoethyl]cyclohexyl]acetic acid
CID 63496419

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-bromo-5-chloro-2-fluorophenyl)-2-hydroxyethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(4-bromo-5-chloro-2-fluorophenyl)-2-hydroxyethyl]cyclopentyl]acetic acid (CID 105399247) is 2-[1-[2-(4-bromo-5-chloro-2-fluorophenyl)-2-hydroxyethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(4-bromo-5-chloro-2-fluorophenyl)-2-hydroxyethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(4-bromo-5-chloro-2-fluorophenyl)-2-hydroxyethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(O)c2cc(Cl)c(Br)cc2F)CCCC1.
What is the InChIKey of 2-[1-[2-(4-bromo-5-chloro-2-fluorophenyl)-2-hydroxyethyl]cyclopentyl]acetic acid?
The InChIKey is CDGHCZCZRGPEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClFO3/c16-10-6-12(18)9(5-11(10)17)13(19)7-15(8-14(20)21)3-1-2-4-15/h5-6,13,19H,1-4,7-8H2,(H,20,21).
What are the key properties of 2-[1-[2-(4-bromo-5-chloro-2-fluorophenyl)-2-hydroxyethyl]cyclopentyl]acetic acid?
2-[1-[2-(4-bromo-5-chloro-2-fluorophenyl)-2-hydroxyethyl]cyclopentyl]acetic acid has a molecular weight of 379.65 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-bromo-5-chloro-2-fluorophenyl)-2-hydroxyethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 105399247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).