(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanol

C13H16BrFO — CID 106645085

IUPAC(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanol
SMILESCC1CCC(C(O)c2cccc(Br)c2F)C1
InChIInChI=1S/C13H16BrFO/c1-8-5-6-9(7-8)13(16)10-3-2-4-11(14)12(10)15/h2-4,8-9,13,16H,5-7H2,1H3
InChIKeyNETQRMMKKIWMJA-UHFFFAOYSA-N
MW287.17 g/mol
LogP4.06
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanol

(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanol (PubChem CID 106645085) has the molecular formula C13H16BrFO and a molecular weight of 287.17 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanol.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanol
PubChem CID106645085
Molecular FormulaC13H16BrFO
Molecular Weight287.17 g/mol
Exact Mass286.04
IUPAC Name(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanol
SMILESCC1CCC(C(O)c2cccc(Br)c2F)C1
InChIInChI=1S/C13H16BrFO/c1-8-5-6-9(7-8)13(16)10-3-2-4-11(14)12(10)15/h2-4,8-9,13,16H,5-7H2,1H3
InChIKeyNETQRMMKKIWMJA-UHFFFAOYSA-N
XLogP4.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.17
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanamine
CID 106645707
(3-bromo-2-fluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
CID 106645178
(3-bromo-2-fluorophenyl)-(4-tert-butylcyclohexyl)methanol
CID 106644575
[(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methyl]hydrazine
CID 106649075
(2-bromo-6-fluorophenyl)-(3-methylcyclohexyl)methanol
CID 114885757
(2,4-difluorophenyl)-(3-methylcyclopentyl)methanol
CID 65401333
(3-bromo-2-fluorophenyl)-(2,2-dimethylcyclopentyl)methanol
CID 107193133
[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-(4-methylcyclohexyl)methanol
CID 134358796
1-(3-bromo-2-fluorophenyl)-3,3-dimethylbutane-1,2-diol
CID 106645237
cyclopentyl-(2,3-difluorophenyl)methanol
CID 63894572
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-fluoro-3-methoxyphenyl)methanol
CID 115828514
(3-methylcyclopentyl)-(2-methylthiophen-3-yl)methanol
CID 102831364

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanol?
The IUPAC name of (3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanol (CID 106645085) is (3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanol.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanol?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanol is CC1CCC(C(O)c2cccc(Br)c2F)C1.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanol?
The InChIKey is NETQRMMKKIWMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFO/c1-8-5-6-9(7-8)13(16)10-3-2-4-11(14)12(10)15/h2-4,8-9,13,16H,5-7H2,1H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanol?
(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanol has a molecular weight of 287.17 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanol is sourced from PubChem (CID 106645085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).