(4-bromo-5-chloro-2-fluorophenyl)-(1-ethylcyclopentyl)methanol

C14H17BrClFO — CID 105399333

IUPAC(4-bromo-5-chloro-2-fluorophenyl)-(1-ethylcyclopentyl)methanol
SMILESCCC1(C(O)c2cc(Cl)c(Br)cc2F)CCCC1
InChIInChI=1S/C14H17BrClFO/c1-2-14(5-3-4-6-14)13(18)9-7-11(16)10(15)8-12(9)17/h7-8,13,18H,2-6H2,1H3
InChIKeyWRCDJFONZYTEIW-UHFFFAOYSA-N
MW335.64 g/mol
LogP5.25
Rot. Bonds3

About (4-bromo-5-chloro-2-fluorophenyl)-(1-ethylcyclopentyl)methanol

(4-bromo-5-chloro-2-fluorophenyl)-(1-ethylcyclopentyl)methanol (PubChem CID 105399333) has the molecular formula C14H17BrClFO and a molecular weight of 335.64 g/mol. Its IUPAC name is (4-bromo-5-chloro-2-fluorophenyl)-(1-ethylcyclopentyl)methanol.

Molecular Properties

Compound Name(4-bromo-5-chloro-2-fluorophenyl)-(1-ethylcyclopentyl)methanol
PubChem CID105399333
Molecular FormulaC14H17BrClFO
Molecular Weight335.64 g/mol
Exact Mass334.01
IUPAC Name(4-bromo-5-chloro-2-fluorophenyl)-(1-ethylcyclopentyl)methanol
SMILESCCC1(C(O)c2cc(Cl)c(Br)cc2F)CCCC1
InChIInChI=1S/C14H17BrClFO/c1-2-14(5-3-4-6-14)13(18)9-7-11(16)10(15)8-12(9)17/h7-8,13,18H,2-6H2,1H3
InChIKeyWRCDJFONZYTEIW-UHFFFAOYSA-N
XLogP5.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.64
LogP ≤ 55.25
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)-(1-ethylcyclopentyl)methanol?
The IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(1-ethylcyclopentyl)methanol (CID 105399333) is (4-bromo-5-chloro-2-fluorophenyl)-(1-ethylcyclopentyl)methanol.
What is the SMILES notation for (4-bromo-5-chloro-2-fluorophenyl)-(1-ethylcyclopentyl)methanol?
The canonical SMILES for (4-bromo-5-chloro-2-fluorophenyl)-(1-ethylcyclopentyl)methanol is CCC1(C(O)c2cc(Cl)c(Br)cc2F)CCCC1.
What is the InChIKey of (4-bromo-5-chloro-2-fluorophenyl)-(1-ethylcyclopentyl)methanol?
The InChIKey is WRCDJFONZYTEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClFO/c1-2-14(5-3-4-6-14)13(18)9-7-11(16)10(15)8-12(9)17/h7-8,13,18H,2-6H2,1H3.
What are the key properties of (4-bromo-5-chloro-2-fluorophenyl)-(1-ethylcyclopentyl)methanol?
(4-bromo-5-chloro-2-fluorophenyl)-(1-ethylcyclopentyl)methanol has a molecular weight of 335.64 g/mol, XLogP of 5.25, 3 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)-(1-ethylcyclopentyl)methanol is sourced from PubChem (CID 105399333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).