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

C13H15BrClFO — CID 105399313

IUPAC(4-bromo-5-chloro-2-fluorophenyl)-(1-methylcyclopentyl)methanol
SMILESCC1(C(O)c2cc(Cl)c(Br)cc2F)CCCC1
InChIInChI=1S/C13H15BrClFO/c1-13(4-2-3-5-13)12(17)8-6-10(15)9(14)7-11(8)16/h6-7,12,17H,2-5H2,1H3
InChIKeyFJCUSEIJJPCODF-UHFFFAOYSA-N
MW321.62 g/mol
LogP4.86
Rot. Bonds2

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

(4-bromo-5-chloro-2-fluorophenyl)-(1-methylcyclopentyl)methanol (PubChem CID 105399313) has the molecular formula C13H15BrClFO and a molecular weight of 321.62 g/mol. Its IUPAC name is (4-bromo-5-chloro-2-fluorophenyl)-(1-methylcyclopentyl)methanol.

Molecular Properties

Compound Name(4-bromo-5-chloro-2-fluorophenyl)-(1-methylcyclopentyl)methanol
PubChem CID105399313
Molecular FormulaC13H15BrClFO
Molecular Weight321.62 g/mol
Exact Mass320.00
IUPAC Name(4-bromo-5-chloro-2-fluorophenyl)-(1-methylcyclopentyl)methanol
SMILESCC1(C(O)c2cc(Cl)c(Br)cc2F)CCCC1
InChIInChI=1S/C13H15BrClFO/c1-13(4-2-3-5-13)12(17)8-6-10(15)9(14)7-11(8)16/h6-7,12,17H,2-5H2,1H3
InChIKeyFJCUSEIJJPCODF-UHFFFAOYSA-N
XLogP4.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.62
LogP ≤ 54.86
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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Related Compounds

(4-Bromo-3-chlorophenyl)methanol
CID 53255486
(1R)-1-(4-bromo-3-chlorophenyl)ethan-1-ol
CID 165657361
(1S)-1-(3-bromo-5-chlorophenyl)ethan-1-ol
CID 165780482
(1S)-1-(4-bromo-3-chlorophenyl)ethan-1-ol
CID 165781790
(1R)-1-(3-bromo-5-chlorophenyl)ethan-1-ol
CID 165970028
(4-Bromo-3-fluoro-phenyl)-(4-chlorophenyl)-methanol
CID 21696955
1-(4-Bromo-3,5-dichlorophenyl)-2,2,2-trifluoroethanol
CID 90218259
1-(4-Bromo-3-chlorophenyl)-2,2,2-trifluoroethan-1-ol
CID 108396159
1-(6-Bromo-3-chloro-2-fluorophenyl)ethanol
CID 117386866
1-(2-Bromo-3-chloro-6-fluorophenyl)ethanol
CID 117386867
1-(6-Bromo-3-chloro-2-fluorophenyl)prop-2-en-1-ol
CID 122463723
1-(6-Bromo-3-chloro-2-fluorophenyl)butan-1-ol
CID 123429558

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(1-methylcyclopentyl)methanol?
The IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(1-methylcyclopentyl)methanol (CID 105399313) is (4-bromo-5-chloro-2-fluorophenyl)-(1-methylcyclopentyl)methanol.
What is the SMILES notation for (4-bromo-5-chloro-2-fluorophenyl)-(1-methylcyclopentyl)methanol?
The canonical SMILES for (4-bromo-5-chloro-2-fluorophenyl)-(1-methylcyclopentyl)methanol is CC1(C(O)c2cc(Cl)c(Br)cc2F)CCCC1.
What is the InChIKey of (4-bromo-5-chloro-2-fluorophenyl)-(1-methylcyclopentyl)methanol?
The InChIKey is FJCUSEIJJPCODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClFO/c1-13(4-2-3-5-13)12(17)8-6-10(15)9(14)7-11(8)16/h6-7,12,17H,2-5H2,1H3.
What are the key properties of (4-bromo-5-chloro-2-fluorophenyl)-(1-methylcyclopentyl)methanol?
(4-bromo-5-chloro-2-fluorophenyl)-(1-methylcyclopentyl)methanol has a molecular weight of 321.62 g/mol, XLogP of 4.86, 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)-(1-methylcyclopentyl)methanol is sourced from PubChem (CID 105399313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).