(4-bromo-5-chloro-2-fluorophenyl)-cyclopentylmethanol

C12H13BrClFO — CID 105399340

IUPAC(4-bromo-5-chloro-2-fluorophenyl)-cyclopentylmethanol
SMILESOC(c1cc(Cl)c(Br)cc1F)C1CCCC1
InChIInChI=1S/C12H13BrClFO/c13-9-6-11(15)8(5-10(9)14)12(16)7-3-1-2-4-7/h5-7,12,16H,1-4H2
InChIKeyWNDXWZJRKRUHDM-UHFFFAOYSA-N
MW307.59 g/mol
LogP4.47
Rot. Bonds2

About (4-bromo-5-chloro-2-fluorophenyl)-cyclopentylmethanol

(4-bromo-5-chloro-2-fluorophenyl)-cyclopentylmethanol (PubChem CID 105399340) has the molecular formula C12H13BrClFO and a molecular weight of 307.59 g/mol. Its IUPAC name is (4-bromo-5-chloro-2-fluorophenyl)-cyclopentylmethanol.

Molecular Properties

Compound Name(4-bromo-5-chloro-2-fluorophenyl)-cyclopentylmethanol
PubChem CID105399340
Molecular FormulaC12H13BrClFO
Molecular Weight307.59 g/mol
Exact Mass305.98
IUPAC Name(4-bromo-5-chloro-2-fluorophenyl)-cyclopentylmethanol
SMILESOC(c1cc(Cl)c(Br)cc1F)C1CCCC1
InChIInChI=1S/C12H13BrClFO/c13-9-6-11(15)8(5-10(9)14)12(16)7-3-1-2-4-7/h5-7,12,16H,1-4H2
InChIKeyWNDXWZJRKRUHDM-UHFFFAOYSA-N
XLogP4.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.59
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-cyclopentylmethanol?
The IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-cyclopentylmethanol (CID 105399340) is (4-bromo-5-chloro-2-fluorophenyl)-cyclopentylmethanol.
What is the SMILES notation for (4-bromo-5-chloro-2-fluorophenyl)-cyclopentylmethanol?
The canonical SMILES for (4-bromo-5-chloro-2-fluorophenyl)-cyclopentylmethanol is OC(c1cc(Cl)c(Br)cc1F)C1CCCC1.
What is the InChIKey of (4-bromo-5-chloro-2-fluorophenyl)-cyclopentylmethanol?
The InChIKey is WNDXWZJRKRUHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClFO/c13-9-6-11(15)8(5-10(9)14)12(16)7-3-1-2-4-7/h5-7,12,16H,1-4H2.
What are the key properties of (4-bromo-5-chloro-2-fluorophenyl)-cyclopentylmethanol?
(4-bromo-5-chloro-2-fluorophenyl)-cyclopentylmethanol has a molecular weight of 307.59 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chloro-2-fluorophenyl)-cyclopentylmethanol is sourced from PubChem (CID 105399340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).